2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone

C15H20N2O4 — CID 62035507

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
SMILESO=C(CN(CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N2O4/c18-10-9-16(13-3-1-2-4-13)11-15(19)12-5-7-14(8-6-12)17(20)21/h5-8,13,18H,1-4,9-11H2
InChIKeyRZVNEMWXUYGLRT-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.01
Rot. Bonds7

About 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone (PubChem CID 62035507) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
PubChem CID62035507
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
SMILESO=C(CN(CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N2O4/c18-10-9-16(13-3-1-2-4-13)11-15(19)12-5-7-14(8-6-12)17(20)21/h5-8,13,18H,1-4,9-11H2
InChIKeyRZVNEMWXUYGLRT-UHFFFAOYSA-N
XLogP2.01
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
2-[cyclopropyl(2-hydroxyethyl)amino]-N-methyl-N-(4-nitrophenyl)acetamide
CID 110899426
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
2-[(2-bromo-4-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62013900
2-[methyl(oxolan-3-yl)amino]-1-(4-nitrophenyl)ethanone
CID 82742955
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60510266

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone (CID 62035507) is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone is O=C(CN(CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone?
The InChIKey is RZVNEMWXUYGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-9-16(13-3-1-2-4-13)11-15(19)12-5-7-14(8-6-12)17(20)21/h5-8,13,18H,1-4,9-11H2.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone?
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone has a molecular weight of 292.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 62035507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).