3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide

C14H22N2O — CID 43371726

IUPAC3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C14H22N2O/c1-9(2)8-10(3)16-14(17)12-6-5-7-13(15)11(12)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyYNFOHUPHSWJDFD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide

3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 43371726) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID43371726
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C14H22N2O/c1-9(2)8-10(3)16-14(17)12-6-5-7-13(15)11(12)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyYNFOHUPHSWJDFD-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
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

3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64629768
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927250
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide (CID 43371726) is 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide is Cc1c(N)cccc1C(=O)NC(C)CC(C)C.
What is the InChIKey of 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is YNFOHUPHSWJDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)8-10(3)16-14(17)12-6-5-7-13(15)11(12)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide?
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 43371726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).