2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide

C16H33N3O3 — CID 166824179

IUPAC2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)C(C)(C)N
InChIInChI=1S/C16H33N3O3/c1-8-11(3)14(12(9-2)22-7)19(6)13(20)10-18-15(21)16(4,5)17/h11-12,14H,8-10,17H2,1-7H3,(H,18,21)
InChIKeyCBYLWQGWVSVOMA-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.14
Rot. Bonds9

About 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide

2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 166824179) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide
PubChem CID166824179
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Name2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)C(C)(C)N
InChIInChI=1S/C16H33N3O3/c1-8-11(3)14(12(9-2)22-7)19(6)13(20)10-18-15(21)16(4,5)17/h11-12,14H,8-10,17H2,1-7H3,(H,18,21)
InChIKeyCBYLWQGWVSVOMA-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.14
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-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
CID 144975458
N-[(5S)-3-methoxy-5-methylheptan-4-yl]-N-methyl-2-(methylamino)propanamide
CID 59974258
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
3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 146415508
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
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429060
N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 170042358
2-[(3-aminophenyl)methyl-methylamino]-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 130462414
ethyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 58490991
4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoic acid
CID 145301841

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide (CID 166824179) is 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide is CCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is CBYLWQGWVSVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-8-11(3)14(12(9-2)22-7)19(6)13(20)10-18-15(21)16(4,5)17/h11-12,14H,8-10,17H2,1-7H3,(H,18,21).
What are the key properties of 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide?
2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 166824179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).