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

C11H16N2O — CID 42427278

IUPAC3-amino-N-[(2S)-butan-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyBFTANQZBYUIEDK-QMMMGPOBSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds3

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

3-amino-N-[(2S)-butan-2-yl]benzamide (PubChem CID 42427278) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-N-[(2S)-butan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-butan-2-yl]benzamide
PubChem CID42427278
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-N-[(2S)-butan-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyBFTANQZBYUIEDK-QMMMGPOBSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.80
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-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
4-amino-N-butan-2-ylbenzamide
CID 3503917
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-butan-2-yl]benzamide?
The IUPAC name of 3-amino-N-[(2S)-butan-2-yl]benzamide (CID 42427278) is 3-amino-N-[(2S)-butan-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[(2S)-butan-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[(2S)-butan-2-yl]benzamide is CC[C@H](C)NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(2S)-butan-2-yl]benzamide?
The InChIKey is BFTANQZBYUIEDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-butan-2-yl]benzamide?
3-amino-N-[(2S)-butan-2-yl]benzamide has a molecular weight of 192.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-butan-2-yl]benzamide is sourced from PubChem (CID 42427278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).