(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

C25H33N3O5 — CID 93338501

IUPAC(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCO[C@H](CN(CC(C)C)C(=O)c3cccc(OC)c3)C2)c1
InChIInChI=1S/C25H33N3O5/c1-18(2)15-28(24(29)19-7-5-9-21(13-19)31-3)17-23-16-27(11-12-33-23)25(30)26-20-8-6-10-22(14-20)32-4/h5-10,13-14,18,23H,11-12,15-17H2,1-4H3,(H,26,30)/t23-/m0/s1
InChIKeyMOYVNPULBAEHQA-QHCPKHFHSA-N
MW455.56 g/mol
LogP3.73
Rot. Bonds8

About (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 93338501) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
PubChem CID93338501
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCO[C@H](CN(CC(C)C)C(=O)c3cccc(OC)c3)C2)c1
InChIInChI=1S/C25H33N3O5/c1-18(2)15-28(24(29)19-7-5-9-21(13-19)31-3)17-23-16-27(11-12-33-23)25(30)26-20-8-6-10-22(14-20)32-4/h5-10,13-14,18,23H,11-12,15-17H2,1-4H3,(H,26,30)/t23-/m0/s1
InChIKeyMOYVNPULBAEHQA-QHCPKHFHSA-N
XLogP3.73
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (CID 93338501) is (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is COc1cccc(NC(=O)N2CCO[C@H](CN(CC(C)C)C(=O)c3cccc(OC)c3)C2)c1.
What is the InChIKey of (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is MOYVNPULBAEHQA-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-18(2)15-28(24(29)19-7-5-9-21(13-19)31-3)17-23-16-27(11-12-33-23)25(30)26-20-8-6-10-22(14-20)32-4/h5-10,13-14,18,23H,11-12,15-17H2,1-4H3,(H,26,30)/t23-/m0/s1.
What are the key properties of (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 93338501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).