N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide

C19H28N2O4 — CID 122145185

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(C)CCO2)c(OC2CCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-21-9-10-24-18(13-21)19(22)20-12-14-7-8-16(23-2)11-17(14)25-15-5-3-4-6-15/h7-8,11,15,18H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyPGEYXVHIQBPOSK-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.96
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 122145185) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
PubChem CID122145185
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(C)CCO2)c(OC2CCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-21-9-10-24-18(13-21)19(22)20-12-14-7-8-16(23-2)11-17(14)25-15-5-3-4-6-15/h7-8,11,15,18H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyPGEYXVHIQBPOSK-UHFFFAOYSA-N
XLogP1.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
3-methoxy-4-[2-[(4-methylmorpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 138029125
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide (CID 122145185) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide is COc1ccc(CNC(=O)C2CN(C)CCO2)c(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is PGEYXVHIQBPOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-21-9-10-24-18(13-21)19(22)20-12-14-7-8-16(23-2)11-17(14)25-15-5-3-4-6-15/h7-8,11,15,18H,3-6,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 122145185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).