(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide

C23H26FN3O3 — CID 92990157

IUPAC(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C23H26FN3O3/c24-19-6-4-5-18(13-19)22(28)27(14-17-9-10-17)16-21-15-26(11-12-30-21)23(29)25-20-7-2-1-3-8-20/h1-8,13,17,21H,9-12,14-16H2,(H,25,29)/t21-/m1/s1
InChIKeyJMAIVDVRAYHAIR-OAQYLSRUSA-N
MW411.48 g/mol
LogP3.61
Rot. Bonds6

About (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide

(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 92990157) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID92990157
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C23H26FN3O3/c24-19-6-4-5-18(13-19)22(28)27(14-17-9-10-17)16-21-15-26(11-12-30-21)23(29)25-20-7-2-1-3-8-20/h1-8,13,17,21H,9-12,14-16H2,(H,25,29)/t21-/m1/s1
InChIKeyJMAIVDVRAYHAIR-OAQYLSRUSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060532
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
2-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 46060521
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide (CID 92990157) is (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide is O=C(Nc1ccccc1)N1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is JMAIVDVRAYHAIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-19-6-4-5-18(13-19)22(28)27(14-17-9-10-17)16-21-15-26(11-12-30-21)23(29)25-20-7-2-1-3-8-20/h1-8,13,17,21H,9-12,14-16H2,(H,25,29)/t21-/m1/s1.
What are the key properties of (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 92990157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).