N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide

C14H18N2O3 — CID 79193047

IUPACN-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(CCCO)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c17-9-1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)10-3-4-10/h5-8,10,17H,1-4,9H2,(H,15,18)(H,16,19)
InChIKeyXMXDPMZMZJMMNM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.75
Rot. Bonds6

About N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide

N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 79193047) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID79193047
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(CCCO)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c17-9-1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)10-3-4-10/h5-8,10,17H,1-4,9H2,(H,15,18)(H,16,19)
InChIKeyXMXDPMZMZJMMNM-UHFFFAOYSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
4-[3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropyl]benzoic acid
CID 119180032
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 25276318
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
3-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]propanoic acid
CID 119252599
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
4-(4-hydroxybutanoylamino)benzamide
CID 79203349

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide (CID 79193047) is N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide is O=C(CCCO)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is XMXDPMZMZJMMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-9-1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)10-3-4-10/h5-8,10,17H,1-4,9H2,(H,15,18)(H,16,19).
What are the key properties of N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide?
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 79193047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).