(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide

C19H28N2O3 — CID 94572560

IUPAC(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)N2CCOC[C@@H]2C)CCCC1
InChIInChI=1S/C19H28N2O3/c1-15-13-24-12-11-21(15)18(22)20-14-19(9-5-6-10-19)16-7-3-4-8-17(16)23-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPMMCSGDOOATXOF-HNNXBMFYSA-N
MW332.44 g/mol
LogP2.94
Rot. Bonds4

About (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide

(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide (PubChem CID 94572560) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide
PubChem CID94572560
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)N2CCOC[C@@H]2C)CCCC1
InChIInChI=1S/C19H28N2O3/c1-15-13-24-12-11-21(15)18(22)20-14-19(9-5-6-10-19)16-7-3-4-8-17(16)23-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPMMCSGDOOATXOF-HNNXBMFYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
3-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]piperidine-1-carboxamide
CID 110903329
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
(3S)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylmorpholine-4-carboxamide
CID 97024808
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927495
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide (CID 94572560) is (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide is COc1ccccc1C1(CNC(=O)N2CCOC[C@@H]2C)CCCC1.
What is the InChIKey of (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is PMMCSGDOOATXOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-13-24-12-11-21(15)18(22)20-14-19(9-5-6-10-19)16-7-3-4-8-17(16)23-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide?
(3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94572560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).