3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide

C12H18N2O2 — CID 28690052

IUPAC3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyVCZZTZGSOPMXPC-QMMMGPOBSA-N
MW222.29 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide

3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide (PubChem CID 28690052) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
PubChem CID28690052
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyVCZZTZGSOPMXPC-QMMMGPOBSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methoxybenzoate
CID 61322426
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide (CID 28690052) is 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide is CC[C@H](C)NC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide?
The InChIKey is VCZZTZGSOPMXPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide?
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 28690052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).