4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide

C18H28N2O — CID 43699383

IUPAC4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2C(C)(C)C)ccc1N
InChIInChI=1S/C18H28N2O/c1-12-11-13(9-10-15(12)19)17(21)20-16-8-6-5-7-14(16)18(2,3)4/h9-11,14,16H,5-8,19H2,1-4H3,(H,20,21)
InChIKeyRTVCAXKTBSFCCL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.91
Rot. Bonds2

About 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide

4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide (PubChem CID 43699383) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
PubChem CID43699383
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2C(C)(C)C)ccc1N
InChIInChI=1S/C18H28N2O/c1-12-11-13(9-10-15(12)19)17(21)20-16-8-6-5-7-14(16)18(2,3)4/h9-11,14,16H,5-8,19H2,1-4H3,(H,20,21)
InChIKeyRTVCAXKTBSFCCL-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.91
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

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide (CID 43699383) is 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2C(C)(C)C)ccc1N.
What is the InChIKey of 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide?
The InChIKey is RTVCAXKTBSFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-11-13(9-10-15(12)19)17(21)20-16-8-6-5-7-14(16)18(2,3)4/h9-11,14,16H,5-8,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide?
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide is sourced from PubChem (CID 43699383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).