(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide

C16H24N2O3 — CID 124681532

IUPAC(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)[C@@H]1COCCN1
InChIInChI=1S/C16H24N2O3/c1-11(2)21-9-13-5-4-6-14(12(13)3)18-16(19)15-10-20-8-7-17-15/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyJPILZZGVYVIQTM-HNNXBMFYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds5

About (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide

(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide (PubChem CID 124681532) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
PubChem CID124681532
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)[C@@H]1COCCN1
InChIInChI=1S/C16H24N2O3/c1-11(2)21-9-13-5-4-6-14(12(13)3)18-16(19)15-10-20-8-7-17-15/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyJPILZZGVYVIQTM-HNNXBMFYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 119709153
N-(4-methoxy-2,3-dimethylphenyl)morpholine-3-carboxamide
CID 115177555
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 119754157
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 75482281
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 119333784
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide (CID 124681532) is (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide is Cc1c(COC(C)C)cccc1NC(=O)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is JPILZZGVYVIQTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)21-9-13-5-4-6-14(12(13)3)18-16(19)15-10-20-8-7-17-15/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide?
(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 124681532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).