N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide

C30H51N3O4 — CID 134421833

IUPACN-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)CCC1C=CC=CC=C1)OC)N(C)C(=O)CNC
InChIInChI=1S/C30H51N3O4/c1-8-22(2)29(32(5)28(35)21-31-4)26(36-6)20-27(34)33-19-13-16-25(33)30(37-7)23(3)17-18-24-14-11-9-10-12-15-24/h9-12,14-15,22-26,29-31H,8,13,16-21H2,1-7H3
InChIKeyIGSBQRYJFAMHRL-UHFFFAOYSA-N
MW517.76 g/mol
LogP4.20
Rot. Bonds15

About N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide

N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide (PubChem CID 134421833) has the molecular formula C30H51N3O4 and a molecular weight of 517.76 g/mol. Its IUPAC name is N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide
PubChem CID134421833
Molecular FormulaC30H51N3O4
Molecular Weight517.76 g/mol
Exact Mass517.39
IUPAC NameN-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)CCC1C=CC=CC=C1)OC)N(C)C(=O)CNC
InChIInChI=1S/C30H51N3O4/c1-8-22(2)29(32(5)28(35)21-31-4)26(36-6)20-27(34)33-19-13-16-25(33)30(37-7)23(3)17-18-24-14-11-9-10-12-15-24/h9-12,14-15,22-26,29-31H,8,13,16-21H2,1-7H3
InChIKeyIGSBQRYJFAMHRL-UHFFFAOYSA-N
XLogP4.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-formamido-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R)-1-methoxy-2-methylpropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide
CID 146429268
methyl 2-[[(3R)-3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-(methylamino)acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 146360193
3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic acid
CID 144988697
2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(3S)-3-aminobutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]acetic acid
CID 155206919
2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane
CID 144975194
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-(2-cyclohepta-2,4,6-trien-1-ylethylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpyrrolidin-2-yl]-4-oxo-2-propan-2-ylbutanamide
CID 161317885
(2S)-N-[(4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,2,3-trimethylbutanamide
CID 146253583
methyl (2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoate
CID 118585334
methyl 2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanethioyl]amino]acetate
CID 134548829
N-(2-hydroxyethyl)-3-[1-[4-[[2-[[3-hydroxy-2-(methylamino)butanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanamide
CID 170794576
2-[[(3R)-3-methoxy-3-[1-[(5S)-3-methoxy-5-methyl-4-[methyl-[2-[[2-methyl-2-(methylamino)propanoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]acetic acid
CID 167036889
3-hydroxy-N-[2-[[1-[2-[3-(2-hydroxyethylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]azetidine-2-carboxamide
CID 170794542

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide (CID 134421833) is N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)CCC1C=CC=CC=C1)OC)N(C)C(=O)CNC.
What is the InChIKey of N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is IGSBQRYJFAMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O4/c1-8-22(2)29(32(5)28(35)21-31-4)26(36-6)20-27(34)33-19-13-16-25(33)30(37-7)23(3)17-18-24-14-11-9-10-12-15-24/h9-12,14-15,22-26,29-31H,8,13,16-21H2,1-7H3.
What are the key properties of N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide?
N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 517.76 g/mol, XLogP of 4.20, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclohepta-2,4,6-trien-1-yl-1-methoxy-2-methylbutyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 134421833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).