3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide

C19H30N2O2 — CID 78781741

IUPAC3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)CCCC(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(2)9-8-10-15(3)20-19(23)13-18(21-16(4)22)17-11-6-5-7-12-17/h5-7,11-12,14-15,18H,8-10,13H2,1-4H3,(H,20,23)(H,21,22)
InChIKeySJHFBHCIGYVJOS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.58
Rot. Bonds9

About 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide

3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide (PubChem CID 78781741) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
PubChem CID78781741
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)CCCC(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(2)9-8-10-15(3)20-19(23)13-18(21-16(4)22)17-11-6-5-7-12-17/h5-7,11-12,14-15,18H,8-10,13H2,1-4H3,(H,20,23)(H,21,22)
InChIKeySJHFBHCIGYVJOS-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 55717227
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide (CID 78781741) is 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide is CC(=O)NC(CC(=O)NC(C)CCCC(C)C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide?
The InChIKey is SJHFBHCIGYVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)9-8-10-15(3)20-19(23)13-18(21-16(4)22)17-11-6-5-7-12-17/h5-7,11-12,14-15,18H,8-10,13H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide?
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 78781741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).