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

C25H32ClN3O5 — CID 46059962

IUPACN-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC
InChIInChI=1S/C25H32ClN3O5/c1-17(2)14-29(24(30)18-8-9-22(32-3)23(12-18)33-4)16-21-15-28(10-11-34-21)25(31)27-20-7-5-6-19(26)13-20/h5-9,12-13,17,21H,10-11,14-16H2,1-4H3,(H,27,31)
InChIKeyZMEQDGGNXXGEDP-UHFFFAOYSA-N
MW490.00 g/mol
LogP4.39
Rot. Bonds8

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

N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide (PubChem CID 46059962) has the molecular formula C25H32ClN3O5 and a molecular weight of 490.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
PubChem CID46059962
Molecular FormulaC25H32ClN3O5
Molecular Weight490.00 g/mol
Exact Mass489.20
IUPAC NameN-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC
InChIInChI=1S/C25H32ClN3O5/c1-17(2)14-29(24(30)18-8-9-22(32-3)23(12-18)33-4)16-21-15-28(10-11-34-21)25(31)27-20-7-5-6-19(26)13-20/h5-9,12-13,17,21H,10-11,14-16H2,1-4H3,(H,27,31)
InChIKeyZMEQDGGNXXGEDP-UHFFFAOYSA-N
XLogP4.39
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46059953
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide (CID 46059962) is N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide is COc1ccc(C(=O)N(CC(C)C)CC2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide?
The InChIKey is ZMEQDGGNXXGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O5/c1-17(2)14-29(24(30)18-8-9-22(32-3)23(12-18)33-4)16-21-15-28(10-11-34-21)25(31)27-20-7-5-6-19(26)13-20/h5-9,12-13,17,21H,10-11,14-16H2,1-4H3,(H,27,31).
What are the key properties of N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide?
N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide has a molecular weight of 490.00 g/mol, XLogP of 4.39, 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-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 46059962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).