N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide

C15H23N5O — CID 116511348

IUPACN-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C15H23N5O/c1-11(21)17-13-7-9-14(10-8-13)19-15(20-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3,(H,17,21)(H2,18,19,20)
InChIKeySPMVDTOTQZFFQF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds3

About N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide

N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide (PubChem CID 116511348) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
PubChem CID116511348
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C15H23N5O/c1-11(21)17-13-7-9-14(10-8-13)19-15(20-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3,(H,17,21)(H2,18,19,20)
InChIKeySPMVDTOTQZFFQF-UHFFFAOYSA-N
XLogP2.21
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
CID 163987430
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514981
1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515886

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide (CID 116511348) is N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C(=N/C2CCCCC2)NN)cc1.
What is the InChIKey of N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide?
The InChIKey is SPMVDTOTQZFFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(21)17-13-7-9-14(10-8-13)19-15(20-16)18-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3,(H,17,21)(H2,18,19,20).
What are the key properties of N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide?
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide is sourced from PubChem (CID 116511348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).