N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C18H26N2O3 — CID 75425431

IUPACN-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)Nc1ccc(CCO)cc1)NC(=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c1-13(19-18(23)15-4-2-3-5-15)12-17(22)20-16-8-6-14(7-9-16)10-11-21/h6-9,13,15,21H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyMCHMWIWLWLYUAZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds7

About N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 75425431) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID75425431
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)Nc1ccc(CCO)cc1)NC(=O)C1CCCC1
InChIInChI=1S/C18H26N2O3/c1-13(19-18(23)15-4-2-3-5-15)12-17(22)20-16-8-6-14(7-9-16)10-11-21/h6-9,13,15,21H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyMCHMWIWLWLYUAZ-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
N-[4-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]anilino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120566792
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 124589488
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 120605176
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120605177
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 75523798
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 75425431) is N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)Nc1ccc(CCO)cc1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is MCHMWIWLWLYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(19-18(23)15-4-2-3-5-15)12-17(22)20-16-8-6-14(7-9-16)10-11-21/h6-9,13,15,21H,2-5,10-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 75425431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).