N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide

C16H23N3O2 — CID 61254205

IUPACN-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
SMILESNCCCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-11-3-1-2-4-15(20)18-13-7-9-14(10-8-13)19-16(21)12-5-6-12/h7-10,12H,1-6,11,17H2,(H,18,20)(H,19,21)
InChIKeyVIIGOMVMODJBSM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds8

About N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide

N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 61254205) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID61254205
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
SMILESNCCCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-11-3-1-2-4-15(20)18-13-7-9-14(10-8-13)19-16(21)12-5-6-12/h7-10,12H,1-6,11,17H2,(H,18,20)(H,19,21)
InChIKeyVIIGOMVMODJBSM-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide (CID 61254205) is N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide is NCCCCCC(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is VIIGOMVMODJBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-3-1-2-4-15(20)18-13-7-9-14(10-8-13)19-16(21)12-5-6-12/h7-10,12H,1-6,11,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide?
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61254205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).