N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

C15H23N3O2 — CID 102631536

IUPACN-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)C1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)10-15(20)17-12-6-4-5-11(16)9-12/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20)
InChIKeyZOYOEBNKHXPHTI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds4

About N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (PubChem CID 102631536) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
PubChem CID102631536
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)C1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)10-15(20)17-12-6-4-5-11(16)9-12/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20)
InChIKeyZOYOEBNKHXPHTI-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]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-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-(3-acetylphenyl)-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]acetamide
CID 98775402
N-(3-acetylphenyl)-2-[methyl-(2-methylsulfanylcyclopentyl)amino]acetamide
CID 71868839
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (CID 102631536) is N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is CN(CC(=O)Nc1cccc(N)c1)C1CCCCC1O.
What is the InChIKey of N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The InChIKey is ZOYOEBNKHXPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(13-7-2-3-8-14(13)19)10-15(20)17-12-6-4-5-11(16)9-12/h4-6,9,13-14,19H,2-3,7-8,10,16H2,1H3,(H,17,20).
What are the key properties of N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 102631536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).