N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

C19H28N2O3 — CID 119721176

IUPACN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCNC2)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-13(21-19(22)15-9-10-20-12-15)14-7-8-17(18(11-14)23-2)24-16-5-3-4-6-16/h7-8,11,13,15-16,20H,3-6,9-10,12H2,1-2H3,(H,21,22)
InChIKeyKCSGNLLDXFPMMP-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 119721176) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID119721176
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCNC2)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-13(21-19(22)15-9-10-20-12-15)14-7-8-17(18(11-14)23-2)24-16-5-3-4-6-16/h7-8,11,13,15-16,20H,3-6,9-10,12H2,1-2H3,(H,21,22)
InChIKeyKCSGNLLDXFPMMP-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 119721132
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 119721176) is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CCNC2)ccc1OC1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is KCSGNLLDXFPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(21-19(22)15-9-10-20-12-15)14-7-8-17(18(11-14)23-2)24-16-5-3-4-6-16/h7-8,11,13,15-16,20H,3-6,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119721176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).