2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide

C18H22N2O — CID 61112835

IUPAC2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-7-6-10-16(19)17(13)18(21)20-14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyAEQHZHVCTNDITO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.33
Rot. Bonds5

About 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide

2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 61112835) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID61112835
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-13-7-6-10-16(19)17(13)18(21)20-14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyAEQHZHVCTNDITO-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.33
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

2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide (CID 61112835) is 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide is Cc1cccc(N)c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is AEQHZHVCTNDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-6-10-16(19)17(13)18(21)20-14(2)11-12-15-8-4-3-5-9-15/h3-10,14H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide?
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 61112835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).