N-(1-amino-3-methylbutan-2-yl)benzamide

C12H18N2O — CID 65191008

IUPACN-(1-amino-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CN)NC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(8-13)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)
InChIKeySXVWXVUCNGYACY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)benzamide

N-(1-amino-3-methylbutan-2-yl)benzamide (PubChem CID 65191008) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)benzamide
PubChem CID65191008
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(1-amino-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CN)NC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(8-13)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)
InChIKeySXVWXVUCNGYACY-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
CID 65191606
N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 65190896
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
CID 154702963
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)benzamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)benzamide (CID 65191008) is N-(1-amino-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)benzamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)benzamide is CC(C)C(CN)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)benzamide?
The InChIKey is SXVWXVUCNGYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)11(8-13)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)benzamide?
N-(1-amino-3-methylbutan-2-yl)benzamide has a molecular weight of 206.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 65191008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).