N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide

C25H30ClN3O5 — CID 46060546

IUPACN-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(CC2CC2)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC
InChIInChI=1S/C25H30ClN3O5/c1-32-22-9-8-18(12-23(22)33-2)24(30)29(14-17-6-7-17)16-21-15-28(10-11-34-21)25(31)27-20-5-3-4-19(26)13-20/h3-5,8-9,12-13,17,21H,6-7,10-11,14-16H2,1-2H3,(H,27,31)
InChIKeyVXDBFISTGAMQMB-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.14
Rot. Bonds8

About N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide

N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide (PubChem CID 46060546) has the molecular formula C25H30ClN3O5 and a molecular weight of 487.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
PubChem CID46060546
Molecular FormulaC25H30ClN3O5
Molecular Weight487.98 g/mol
Exact Mass487.19
IUPAC NameN-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(CC2CC2)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC
InChIInChI=1S/C25H30ClN3O5/c1-32-22-9-8-18(12-23(22)33-2)24(30)29(14-17-6-7-17)16-21-15-28(10-11-34-21)25(31)27-20-5-3-4-19(26)13-20/h3-5,8-9,12-13,17,21H,6-7,10-11,14-16H2,1-2H3,(H,27,31)
InChIKeyVXDBFISTGAMQMB-UHFFFAOYSA-N
XLogP4.14
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
CID 46059962
N-(3-chlorophenyl)-2-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46059953
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
2-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 46060521
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide (CID 46060546) is N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide is COc1ccc(C(=O)N(CC2CC2)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The InChIKey is VXDBFISTGAMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O5/c1-32-22-9-8-18(12-23(22)33-2)24(30)29(14-17-6-7-17)16-21-15-28(10-11-34-21)25(31)27-20-5-3-4-19(26)13-20/h3-5,8-9,12-13,17,21H,6-7,10-11,14-16H2,1-2H3,(H,27,31).
What are the key properties of N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide has a molecular weight of 487.98 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 46060546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).