1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide

C17H25NO3 — CID 110907153

IUPAC1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(O)CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-14(15-8-3-2-4-9-15)21-13-7-12-18-16(19)17(20)10-5-6-11-17/h2-4,8-9,14,20H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyJZHYZGIAOODVFX-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.58
Rot. Bonds7

About 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide

1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide (PubChem CID 110907153) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
PubChem CID110907153
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(O)CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-14(15-8-3-2-4-9-15)21-13-7-12-18-16(19)17(20)10-5-6-11-17/h2-4,8-9,14,20H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyJZHYZGIAOODVFX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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

1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
CID 55567582
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
2-methyl-N-[2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111403548
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide (CID 110907153) is 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide is CC(OCCCNC(=O)C1(O)CCCC1)c1ccccc1.
What is the InChIKey of 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide?
The InChIKey is JZHYZGIAOODVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(15-8-3-2-4-9-15)21-13-7-12-18-16(19)17(20)10-5-6-11-17/h2-4,8-9,14,20H,5-7,10-13H2,1H3,(H,18,19).
What are the key properties of 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110907153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).