2-amino-5-[(3-ethylcyclohexyl)amino]benzamide

C15H23N3O — CID 64743019

IUPAC2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
SMILESCCC1CCCC(Nc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C15H23N3O/c1-2-10-4-3-5-11(8-10)18-12-6-7-14(16)13(9-12)15(17)19/h6-7,9-11,18H,2-5,8,16H2,1H3,(H2,17,19)
InChIKeyKYUUTHAIJXSZOI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide

2-amino-5-[(3-ethylcyclohexyl)amino]benzamide (PubChem CID 64743019) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
PubChem CID64743019
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
SMILESCCC1CCCC(Nc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C15H23N3O/c1-2-10-4-3-5-11(8-10)18-12-6-7-14(16)13(9-12)15(17)19/h6-7,9-11,18H,2-5,8,16H2,1H3,(H2,17,19)
InChIKeyKYUUTHAIJXSZOI-UHFFFAOYSA-N
XLogP2.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
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-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
2-[2-amino-5-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide?
The IUPAC name of 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide (CID 64743019) is 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide?
The canonical SMILES for 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide is CCC1CCCC(Nc2ccc(N)c(C(N)=O)c2)C1.
What is the InChIKey of 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide?
The InChIKey is KYUUTHAIJXSZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-10-4-3-5-11(8-10)18-12-6-7-14(16)13(9-12)15(17)19/h6-7,9-11,18H,2-5,8,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide?
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-ethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 64743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).