N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C18H26N2O3 — CID 119324271

IUPACN-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN2)c1OC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-22-16-10-4-6-13(17(16)23-14-7-2-3-8-14)12-20-18(21)15-9-5-11-19-15/h4,6,10,14-15,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21)
InChIKeyRRNAXGJOTQNJOY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.38
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119324271) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID119324271
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN2)c1OC1CCCC1
InChIInChI=1S/C18H26N2O3/c1-22-16-10-4-6-13(17(16)23-14-7-2-3-8-14)12-20-18(21)15-9-5-11-19-15/h4,6,10,14-15,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21)
InChIKeyRRNAXGJOTQNJOY-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
CID 119324261
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 119324271) is N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1cccc(CNC(=O)C2CCCN2)c1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RRNAXGJOTQNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-16-10-4-6-13(17(16)23-14-7-2-3-8-14)12-20-18(21)15-9-5-11-19-15/h4,6,10,14-15,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119324271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).