(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide

C26H27N3O4 — CID 95775872

IUPAC(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-7-10-20(16-21)27-25(30)22-12-5-6-13-23(22)28-26(31)24-18-29(14-15-33-24)17-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1
InChIKeyDQLXHJPKZQEOFI-DEOSSOPVSA-N
MW445.52 g/mol
LogP3.79
Rot. Bonds7

About (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide

(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide (PubChem CID 95775872) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
PubChem CID95775872
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-7-10-20(16-21)27-25(30)22-12-5-6-13-23(22)28-26(31)24-18-29(14-15-33-24)17-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1
InChIKeyDQLXHJPKZQEOFI-DEOSSOPVSA-N
XLogP3.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17485174
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
CID 162705279
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119680052
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide (CID 95775872) is (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide is COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide?
The InChIKey is DQLXHJPKZQEOFI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-21-11-7-10-20(16-21)27-25(30)22-12-5-6-13-23(22)28-26(31)24-18-29(14-15-33-24)17-19-8-3-2-4-9-19/h2-13,16,24H,14-15,17-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 95775872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).