3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide

C18H22N2O — CID 97030400

IUPAC3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C18H22N2O/c1-4-12(2)14-8-5-6-11-17(14)20-18(21)15-9-7-10-16(19)13(15)3/h5-12H,4,19H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeySRRXLRCHKGGIEZ-LBPRGKRZSA-N
MW282.39 g/mol
LogP4.34
Rot. Bonds4

About 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide

3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide (PubChem CID 97030400) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
PubChem CID97030400
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C18H22N2O/c1-4-12(2)14-8-5-6-11-17(14)20-18(21)15-9-7-10-16(19)13(15)3/h5-12H,4,19H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeySRRXLRCHKGGIEZ-LBPRGKRZSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.34
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-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
CID 7936129
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide (CID 97030400) is 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide is CC[C@H](C)c1ccccc1NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is SRRXLRCHKGGIEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-12(2)14-8-5-6-11-17(14)20-18(21)15-9-7-10-16(19)13(15)3/h5-12H,4,19H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide?
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 97030400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).