(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

C24H28N2O3 — CID 92605600

IUPAC(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1
InChIInChI=1S/C24H28N2O3/c1-25(2)23(28)24(17-26(13-14-29-24)22(27)20-11-12-20)16-18-7-6-10-21(15-18)19-8-4-3-5-9-19/h3-10,15,20H,11-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyPCFQAFOTTCESRU-DEOSSOPVSA-N
MW392.50 g/mol
LogP2.99
Rot. Bonds5

About (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92605600) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92605600
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1
InChIInChI=1S/C24H28N2O3/c1-25(2)23(28)24(17-26(13-14-29-24)22(27)20-11-12-20)16-18-7-6-10-21(15-18)19-8-4-3-5-9-19/h3-10,15,20H,11-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyPCFQAFOTTCESRU-DEOSSOPVSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233158
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
(2R)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(1H-1,2,4-triazole-5-carbonyl)morpholine-2-carboxamide
CID 92605767
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
(2S)-4-(cyclobutanecarbonyl)-N,N-dimethyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849045
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92558379
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605794

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (CID 92605600) is (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CC2)CCO1.
What is the InChIKey of (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is PCFQAFOTTCESRU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25(2)23(28)24(17-26(13-14-29-24)22(27)20-11-12-20)16-18-7-6-10-21(15-18)19-8-4-3-5-9-19/h3-10,15,20H,11-14,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92605600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).