N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide

C24H30N2O3 — CID 133237090

IUPACN-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-2-10-22(27)26(18-19-11-5-3-6-12-19)23(20-13-7-4-8-14-20)24(28)25-17-21-15-9-16-29-21/h3-8,11-14,21,23H,2,9-10,15-18H2,1H3,(H,25,28)
InChIKeyJEHCEIRYHZCLKB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.85
Rot. Bonds9

About N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide

N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide (PubChem CID 133237090) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
PubChem CID133237090
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-2-10-22(27)26(18-19-11-5-3-6-12-19)23(20-13-7-4-8-14-20)24(28)25-17-21-15-9-16-29-21/h3-8,11-14,21,23H,2,9-10,15-18H2,1H3,(H,25,28)
InChIKeyJEHCEIRYHZCLKB-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133237757
N-[2-[benzyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 40786023
(2S)-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046992
(2S)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046171
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046673
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133238029
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213635
N-[2-[benzyl-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3215450
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315590
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide?
The IUPAC name of N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide (CID 133237090) is N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide?
The canonical SMILES for N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide is CCCC(=O)N(Cc1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide?
The InChIKey is JEHCEIRYHZCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-10-22(27)26(18-19-11-5-3-6-12-19)23(20-13-7-4-8-14-20)24(28)25-17-21-15-9-16-29-21/h3-8,11-14,21,23H,2,9-10,15-18H2,1H3,(H,25,28).
What are the key properties of N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide?
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide is sourced from PubChem (CID 133237090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).