(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide

C18H27N3O2 — CID 96568261

IUPAC(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide
SMILESCCN1CCO[C@H](C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-3-20-10-11-23-17(13-20)18(22)19-15-6-7-16(14(2)12-15)21-8-4-5-9-21/h6-7,12,17H,3-5,8-11,13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyAFGXNTVBCPVJMD-KRWDZBQOSA-N
MW317.43 g/mol
LogP2.25
Rot. Bonds4

About (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide

(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide (PubChem CID 96568261) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide
PubChem CID96568261
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide
SMILESCCN1CCO[C@H](C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-3-20-10-11-23-17(13-20)18(22)19-15-6-7-16(14(2)12-15)21-8-4-5-9-21/h6-7,12,17H,3-5,8-11,13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyAFGXNTVBCPVJMD-KRWDZBQOSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
4-(2,6-Dimethylmorpholine-4-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 6497293
3-(2,6-Dimethyl-morpholin-4-yl)-N-p-tolyl-propionamide
CID 23724245
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
CID 59401860
N-[3-[2-[(2R)-2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]acetamide
CID 126744799
N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
CID 126744800
N-[2-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
CID 126744949
N-(3,5-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 771505
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956
3-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)propanamide
CID 647735
2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 667348
1-(3,4-dimethylphenyl)-N-[4-(4-morpholinyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide
CID 2957932

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide (CID 96568261) is (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide is CCN1CCO[C@H](C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1.
What is the InChIKey of (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide?
The InChIKey is AFGXNTVBCPVJMD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-20-10-11-23-17(13-20)18(22)19-15-6-7-16(14(2)12-15)21-8-4-5-9-21/h6-7,12,17H,3-5,8-11,13H2,1-2H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide?
(2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 96568261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).