2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

C17H25NO3 — CID 110015310

IUPAC2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)C1CCCC1O
InChIInChI=1S/C17H25NO3/c1-2-10-21-12-14-7-4-3-6-13(14)11-18-17(20)15-8-5-9-16(15)19/h3-4,6-7,15-16,19H,2,5,8-12H2,1H3,(H,18,20)
InChIKeySMFSKKCNSVUXBO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.39
Rot. Bonds7

About 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 110015310) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID110015310
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)C1CCCC1O
InChIInChI=1S/C17H25NO3/c1-2-10-21-12-14-7-4-3-6-13(14)11-18-17(20)15-8-5-9-16(15)19/h3-4,6-7,15-16,19H,2,5,8-12H2,1H3,(H,18,20)
InChIKeySMFSKKCNSVUXBO-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013782
2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87017404
N-[[2-(propoxymethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119295267
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
1-[(1-hydroxycyclobutyl)methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 111438310
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
N-[[2-(propoxymethyl)phenyl]methyl]-1,4-thiazepane-4-carboxamide
CID 87007951

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 110015310) is 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is CCCOCc1ccccc1CNC(=O)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is SMFSKKCNSVUXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-10-21-12-14-7-4-3-6-13(14)11-18-17(20)15-8-5-9-16(15)19/h3-4,6-7,15-16,19H,2,5,8-12H2,1H3,(H,18,20).
What are the key properties of 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110015310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).