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

C21H29N3O4 — CID 46060541

IUPAC2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1
InChIInChI=1S/C21H29N3O4/c1-3-10-22-21(26)23-11-12-28-17(14-23)15-24(13-16-8-9-16)20(25)18-6-4-5-7-19(18)27-2/h3-7,16-17H,1,8-15H2,2H3,(H,22,26)
InChIKeyNEUNABJRWSOJGE-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.14
Rot. Bonds8

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

2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 46060541) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID46060541
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1
InChIInChI=1S/C21H29N3O4/c1-3-10-22-21(26)23-11-12-28-17(14-23)15-24(13-16-8-9-16)20(25)18-6-4-5-7-19(18)27-2/h3-7,16-17H,1,8-15H2,2H3,(H,22,26)
InChIKeyNEUNABJRWSOJGE-UHFFFAOYSA-N
XLogP2.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
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
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862621
2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862667

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (CID 46060541) is 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccccc2OC)C1.
What is the InChIKey of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is NEUNABJRWSOJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-3-10-22-21(26)23-11-12-28-17(14-23)15-24(13-16-8-9-16)20(25)18-6-4-5-7-19(18)27-2/h3-7,16-17H,1,8-15H2,2H3,(H,22,26).
What are the key properties of 2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.14, 8 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-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 46060541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).