4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

C23H28N2O3 — CID 110233131

IUPAC4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O3/c1-3-8-21(26)25-13-14-28-23(17-25,22(27)24-2)16-18-9-7-12-20(15-18)19-10-5-4-6-11-19/h4-7,9-12,15H,3,8,13-14,16-17H2,1-2H3,(H,24,27)
InChIKeyONDKXCZOELQGKC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.04
Rot. Bonds6

About 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110233131) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110233131
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O3/c1-3-8-21(26)25-13-14-28-23(17-25,22(27)24-2)16-18-9-7-12-20(15-18)19-10-5-4-6-11-19/h4-7,9-12,15H,3,8,13-14,16-17H2,1-2H3,(H,24,27)
InChIKeyONDKXCZOELQGKC-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610112
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233158
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (CID 110233131) is 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is CCCC(=O)N1CCOC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1.
What is the InChIKey of 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is ONDKXCZOELQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-8-21(26)25-13-14-28-23(17-25,22(27)24-2)16-18-9-7-12-20(15-18)19-10-5-4-6-11-19/h4-7,9-12,15H,3,8,13-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).