N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide

C16H26N2O — CID 78948251

IUPACN-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-9-12(2)17-16(19)14(4)18-13(3)15-10-7-6-8-11-15/h6-8,10-14,18H,5,9H2,1-4H3,(H,17,19)/t12?,13-,14?/m1/s1
InChIKeyNJBUMSUUZBWFKN-ROKHWSDSSA-N
MW262.40 g/mol
LogP3.03
Rot. Bonds7

About N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide

N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide (PubChem CID 78948251) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
PubChem CID78948251
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-9-12(2)17-16(19)14(4)18-13(3)15-10-7-6-8-11-15/h6-8,10-14,18H,5,9H2,1-4H3,(H,17,19)/t12?,13-,14?/m1/s1
InChIKeyNJBUMSUUZBWFKN-ROKHWSDSSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide?
The IUPAC name of N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide (CID 78948251) is N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide?
The canonical SMILES for N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide is CCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1.
What is the InChIKey of N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide?
The InChIKey is NJBUMSUUZBWFKN-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-9-12(2)17-16(19)14(4)18-13(3)15-10-7-6-8-11-15/h6-8,10-14,18H,5,9H2,1-4H3,(H,17,19)/t12?,13-,14?/m1/s1.
What are the key properties of N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide?
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 78948251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).