N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide

C17H25N3O2 — CID 39192948

IUPACN-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
SMILESNCCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-12-6-11-16(21)19-14-9-4-5-10-15(14)20-17(22)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,18H2,(H,19,21)(H,20,22)
InChIKeySZSOQOZSLKKNAG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide

N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 39192948) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
PubChem CID39192948
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
SMILESNCCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-12-6-11-16(21)19-14-9-4-5-10-15(14)20-17(22)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,18H2,(H,19,21)(H,20,22)
InChIKeySZSOQOZSLKKNAG-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide (CID 39192948) is N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide is NCCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is SZSOQOZSLKKNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-12-6-11-16(21)19-14-9-4-5-10-15(14)20-17(22)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide?
N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 39192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).