3-formamido-2-methyl-N-(2-methylpropyl)benzamide

C13H18N2O2 — CID 168651028

IUPAC3-formamido-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1c(NC=O)cccc1C(=O)NCC(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)7-14-13(17)11-5-4-6-12(10(11)3)15-8-16/h4-6,8-9H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGNZVAZVBGGAFCC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.95
Rot. Bonds5

About 3-formamido-2-methyl-N-(2-methylpropyl)benzamide

3-formamido-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 168651028) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-formamido-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-formamido-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID168651028
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-formamido-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1c(NC=O)cccc1C(=O)NCC(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)7-14-13(17)11-5-4-6-12(10(11)3)15-8-16/h4-6,8-9H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGNZVAZVBGGAFCC-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
CID 168654330
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
N-(3-formamido-2-methylphenyl)-2-methylbutanamide
CID 168650874
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
3-[[(2R)-1,4-dioxan-2-yl]methylcarbamoylamino]-2-methyl-N-(2-methylpropyl)benzamide
CID 125156806
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-[2-(2-methylpropylamino)phenyl]formamide
CID 168653320
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
N-(2-chloropropyl)-3-fluoro-2-methylbenzamide
CID 131197905
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842

Frequently Asked Questions

What is the IUPAC name of 3-formamido-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-formamido-2-methyl-N-(2-methylpropyl)benzamide (CID 168651028) is 3-formamido-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-formamido-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-formamido-2-methyl-N-(2-methylpropyl)benzamide is Cc1c(NC=O)cccc1C(=O)NCC(C)C.
What is the InChIKey of 3-formamido-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is GNZVAZVBGGAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)7-14-13(17)11-5-4-6-12(10(11)3)15-8-16/h4-6,8-9H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-formamido-2-methyl-N-(2-methylpropyl)benzamide?
3-formamido-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 168651028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).