(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide

C15H22N2O2 — CID 95904890

IUPAC(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
SMILESCC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(2)10-14-11-19-9-8-17(14)15(18)16-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeySDBARUHFYSJYFO-AWEZNQCLSA-N
MW262.35 g/mol
LogP2.97
Rot. Bonds3

About (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide (PubChem CID 95904890) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
PubChem CID95904890
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
SMILESCC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(2)10-14-11-19-9-8-17(14)15(18)16-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeySDBARUHFYSJYFO-AWEZNQCLSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide
CID 158170975
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide (CID 95904890) is (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide is CC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide?
The InChIKey is SDBARUHFYSJYFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)10-14-11-19-9-8-17(14)15(18)16-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide?
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 95904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).