3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide

C16H25N3O — CID 82989134

IUPAC3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)C2CCCCC2)c(N)c1
InChIInChI=1S/C16H25N3O/c1-11(12-6-4-3-5-7-12)19-15-9-8-13(10-14(15)17)16(20)18-2/h8-12,19H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyIQIPJEKFZILRMW-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide

3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide (PubChem CID 82989134) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
PubChem CID82989134
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)C2CCCCC2)c(N)c1
InChIInChI=1S/C16H25N3O/c1-11(12-6-4-3-5-7-12)19-15-9-8-13(10-14(15)17)16(20)18-2/h8-12,19H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyIQIPJEKFZILRMW-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.01
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

4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 43781056
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
propan-2-yl 3-amino-4-(cyclohexylamino)benzoate
CID 100620581
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide (CID 82989134) is 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide is CNC(=O)c1ccc(NC(C)C2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide?
The InChIKey is IQIPJEKFZILRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(12-6-4-3-5-7-12)19-15-9-8-13(10-14(15)17)16(20)18-2/h8-12,19H,3-7,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide?
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide is sourced from PubChem (CID 82989134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).