2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide

C16H24N2O — CID 2806551

IUPAC2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2N)CC(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-11-8-12(10-16(2,3)9-11)18-15(19)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyOMHBNTIBEQRKOR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.21
Rot. Bonds2

About 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide

2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide (PubChem CID 2806551) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
PubChem CID2806551
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2N)CC(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-11-8-12(10-16(2,3)9-11)18-15(19)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyOMHBNTIBEQRKOR-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 118318364
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
CID 4121013
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[3-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]phenyl]urea
CID 27235182
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide (CID 2806551) is 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide is CC1CC(NC(=O)c2ccccc2N)CC(C)(C)C1.
What is the InChIKey of 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide?
The InChIKey is OMHBNTIBEQRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-8-12(10-16(2,3)9-11)18-15(19)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide?
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide is sourced from PubChem (CID 2806551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).