N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide

C17H26N2O2 — CID 132649959

IUPACN-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-9-16(20)19(12-15-10-7-6-8-11-15)14(4)17(21)18-13(2)3/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,18,21)
InChIKeyNYCIGBORKKKWMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds7

About N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide

N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide (PubChem CID 132649959) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
PubChem CID132649959
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-9-16(20)19(12-15-10-7-6-8-11-15)14(4)17(21)18-13(2)3/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,18,21)
InChIKeyNYCIGBORKKKWMZ-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726781
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133239326
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide
CID 133148921
N-[(4-bromophenyl)methyl]-N-[1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133257933
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
2-[benzyl-[2-(2-chlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132656010
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide?
The IUPAC name of N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide (CID 132649959) is N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide.
What is the SMILES notation for N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide?
The canonical SMILES for N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide is CCCC(=O)N(Cc1ccccc1)C(C)C(=O)NC(C)C.
What is the InChIKey of N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide?
The InChIKey is NYCIGBORKKKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-9-16(20)19(12-15-10-7-6-8-11-15)14(4)17(21)18-13(2)3/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,18,21).
What are the key properties of N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide?
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide is sourced from PubChem (CID 132649959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).