2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide

C19H40N4O3 — CID 144975458

IUPAC2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)N(CCCN)C(C)C
InChIInChI=1S/C19H40N4O3/c1-8-15(5)18(16(9-2)26-7)22(6)17(24)13-21-19(25)23(14(3)4)12-10-11-20/h14-16,18H,8-13,20H2,1-7H3,(H,21,25)
InChIKeyMFITVQMSDZHJBG-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.05
Rot. Bonds12

About 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide

2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide (PubChem CID 144975458) has the molecular formula C19H40N4O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
PubChem CID144975458
Molecular FormulaC19H40N4O3
Molecular Weight372.55 g/mol
Exact Mass372.31
IUPAC Name2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)N(CCCN)C(C)C
InChIInChI=1S/C19H40N4O3/c1-8-15(5)18(16(9-2)26-7)22(6)17(24)13-21-19(25)23(14(3)4)12-10-11-20/h14-16,18H,8-13,20H2,1-7H3,(H,21,25)
InChIKeyMFITVQMSDZHJBG-UHFFFAOYSA-N
XLogP2.05
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(4S)-4,5-dimethylhexan-3-yl]-methylcarbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
CID 144871501
2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 166824179
N-[(4S)-4,5-dimethylhexan-3-yl]-N-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]carbamoyl]-6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanamide
CID 155417979
6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide
CID 139469991
N-[(5S)-3-methoxy-5-methylheptan-4-yl]-N-methyl-2-(methylamino)propanamide
CID 59974258
2-[(3-aminophenyl)methyl-methylamino]-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 130462414
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429060
4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoic acid
CID 145301841
formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide
CID 144871353
N-[(3S,4R,5R)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide
CID 142609007
methyl 2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-propan-2-ylcarbamoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]acetate;propane;toluene
CID 144975149
2-formamido-N-(5-methoxy-3-methyl-7-oxooctan-4-yl)-N-methylacetamide;1-methylpyrrolidine;propane
CID 176564647

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide?
The IUPAC name of 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide (CID 144975458) is 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide?
The canonical SMILES for 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide is CCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)N(CCCN)C(C)C.
What is the InChIKey of 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide?
The InChIKey is MFITVQMSDZHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O3/c1-8-15(5)18(16(9-2)26-7)22(6)17(24)13-21-19(25)23(14(3)4)12-10-11-20/h14-16,18H,8-13,20H2,1-7H3,(H,21,25).
What are the key properties of 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide?
2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide has a molecular weight of 372.55 g/mol, XLogP of 2.05, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide is sourced from PubChem (CID 144975458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).