N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide

C23H29NO3 — CID 56536444

IUPACN-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO3/c1-4-18(2)24(17-19-9-6-5-7-10-19)23(26)12-8-11-22(25)20-13-15-21(27-3)16-14-20/h5-7,9-10,13-16,18H,4,8,11-12,17H2,1-3H3
InChIKeyPWKUKCPCHKDPRA-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.88
Rot. Bonds10

About N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide

N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 56536444) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID56536444
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO3/c1-4-18(2)24(17-19-9-6-5-7-10-19)23(26)12-8-11-22(25)20-13-15-21(27-3)16-14-20/h5-7,9-10,13-16,18H,4,8,11-12,17H2,1-3H3
InChIKeyPWKUKCPCHKDPRA-UHFFFAOYSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
N-benzyl-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132657894
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
CID 110354210
2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
CID 120686387
N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
CID 55365562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide (CID 56536444) is N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide is CCC(C)N(Cc1ccccc1)C(=O)CCCC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is PWKUKCPCHKDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-18(2)24(17-19-9-6-5-7-10-19)23(26)12-8-11-22(25)20-13-15-21(27-3)16-14-20/h5-7,9-10,13-16,18H,4,8,11-12,17H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide?
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 367.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 56536444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).