2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide

C20H29N3O4 — CID 46060538

IUPAC2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1
InChIInChI=1S/C20H29N3O4/c1-3-21-20(25)22-10-11-27-16(13-22)14-23(12-15-8-9-15)19(24)17-6-4-5-7-18(17)26-2/h4-7,15-16H,3,8-14H2,1-2H3,(H,21,25)
InChIKeyNXCJYZAORCTHFT-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.98
Rot. Bonds7

About 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide

2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide (PubChem CID 46060538) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
PubChem CID46060538
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1
InChIInChI=1S/C20H29N3O4/c1-3-21-20(25)22-10-11-27-16(13-22)14-23(12-15-8-9-15)19(24)17-6-4-5-7-18(17)26-2/h4-7,15-16H,3,8-14H2,1-2H3,(H,21,25)
InChIKeyNXCJYZAORCTHFT-UHFFFAOYSA-N
XLogP1.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060532
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The IUPAC name of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide (CID 46060538) is 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide is CCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1.
What is the InChIKey of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
The InChIKey is NXCJYZAORCTHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-21-20(25)22-10-11-27-16(13-22)14-23(12-15-8-9-15)19(24)17-6-4-5-7-18(17)26-2/h4-7,15-16H,3,8-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide?
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 46060538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).