N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119334414

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCN2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-15-9-8-13(12-20-18(21)16-7-4-10-19-16)17(11-15)23-14-5-2-3-6-14;/h8-9,11,14,16,19H,2-7,10,12H2,1H3,(H,20,21);1H
InChIKeyDKMWSICWQRTXFH-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.81
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119334414) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119334414
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCN2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-15-9-8-13(12-20-18(21)16-7-4-10-19-16)17(11-15)23-14-5-2-3-6-14;/h8-9,11,14,16,19H,2-7,10,12H2,1H3,(H,20,21);1H
InChIKeyDKMWSICWQRTXFH-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119324271
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119334414) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2CCCN2)c(OC2CCCC2)c1.Cl.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DKMWSICWQRTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-22-15-9-8-13(12-20-18(21)16-7-4-10-19-16)17(11-15)23-14-5-2-3-6-14;/h8-9,11,14,16,19H,2-7,10,12H2,1H3,(H,20,21);1H.
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).