4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one

C17H25NO2 — CID 62034933

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
SMILESO=C(CCCN(CCO)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c19-14-13-18(16-9-4-5-10-16)12-6-11-17(20)15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2
InChIKeyRMAFFFNVHHVVKP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds8

About 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one

4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one (PubChem CID 62034933) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
PubChem CID62034933
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
SMILESO=C(CCCN(CCO)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c19-14-13-18(16-9-4-5-10-16)12-6-11-17(20)15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2
InChIKeyRMAFFFNVHHVVKP-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide
CID 102858422
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
12-hydroxy-1-phenyldodecan-1-one
CID 11482778

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one (CID 62034933) is 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one is O=C(CCCN(CCO)C1CCCC1)c1ccccc1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one?
The InChIKey is RMAFFFNVHHVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-14-13-18(16-9-4-5-10-16)12-6-11-17(20)15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2.
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one?
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 62034933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).