2-amino-3-[(4-propylcyclohexyl)amino]benzamide

C16H25N3O — CID 115545356

IUPAC2-amino-3-[(4-propylcyclohexyl)amino]benzamide
SMILESCCCC1CCC(Nc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C16H25N3O/c1-2-4-11-7-9-12(10-8-11)19-14-6-3-5-13(15(14)17)16(18)20/h3,5-6,11-12,19H,2,4,7-10,17H2,1H3,(H2,18,20)
InChIKeyRNFUIBGCGKSJRO-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.14
Rot. Bonds5

About 2-amino-3-[(4-propylcyclohexyl)amino]benzamide

2-amino-3-[(4-propylcyclohexyl)amino]benzamide (PubChem CID 115545356) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-3-[(4-propylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(4-propylcyclohexyl)amino]benzamide
PubChem CID115545356
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-3-[(4-propylcyclohexyl)amino]benzamide
SMILESCCCC1CCC(Nc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C16H25N3O/c1-2-4-11-7-9-12(10-8-11)19-14-6-3-5-13(15(14)17)16(18)20/h3,5-6,11-12,19H,2,4,7-10,17H2,1H3,(H2,18,20)
InChIKeyRNFUIBGCGKSJRO-UHFFFAOYSA-N
XLogP3.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
2-amino-3-[(1,1-dioxothian-4-yl)amino]benzamide
CID 115544921
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531
2-(cyclopropylamino)benzamide
CID 119089293
2-amino-3-(oxolan-3-ylamino)benzamide
CID 115546663
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-propylcyclohexyl)amino]benzamide?
The IUPAC name of 2-amino-3-[(4-propylcyclohexyl)amino]benzamide (CID 115545356) is 2-amino-3-[(4-propylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[(4-propylcyclohexyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[(4-propylcyclohexyl)amino]benzamide is CCCC1CCC(Nc2cccc(C(N)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-[(4-propylcyclohexyl)amino]benzamide?
The InChIKey is RNFUIBGCGKSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-4-11-7-9-12(10-8-11)19-14-6-3-5-13(15(14)17)16(18)20/h3,5-6,11-12,19H,2,4,7-10,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-[(4-propylcyclohexyl)amino]benzamide?
2-amino-3-[(4-propylcyclohexyl)amino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-propylcyclohexyl)amino]benzamide is sourced from PubChem (CID 115545356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).