(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

C23H26N2O3 — CID 92561011

IUPAC(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-16-3-2-4-20(13-16)18-7-5-17(6-8-18)14-23(22(24)27)15-25(11-12-28-23)21(26)19-9-10-19/h2-8,13,19H,9-12,14-15H2,1H3,(H2,24,27)/t23-/m0/s1
InChIKeyDCSYZCHQHWWYRX-QHCPKHFHSA-N
MW378.47 g/mol
LogP2.70
Rot. Bonds5

About (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide

(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 92561011) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID92561011
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-16-3-2-4-20(13-16)18-7-5-17(6-8-18)14-23(22(24)27)15-25(11-12-28-23)21(26)19-9-10-19/h2-8,13,19H,9-12,14-15H2,1H3,(H2,24,27)/t23-/m0/s1
InChIKeyDCSYZCHQHWWYRX-QHCPKHFHSA-N
XLogP2.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561025
(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
CID 92558351
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (CID 92561011) is (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)cc2)c1.
What is the InChIKey of (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is DCSYZCHQHWWYRX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-3-2-4-20(13-16)18-7-5-17(6-8-18)14-23(22(24)27)15-25(11-12-28-23)21(26)19-9-10-19/h2-8,13,19H,9-12,14-15H2,1H3,(H2,24,27)/t23-/m0/s1.
What are the key properties of (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92561011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).