N-(3-formamido-2-methylphenyl)-2-methylbutanamide

C13H18N2O2 — CID 168650874

IUPACN-(3-formamido-2-methylphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(NC=O)c1C
InChIInChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-6-11(10(12)3)14-8-16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyPCEYYOCJXHWFDS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.55
Rot. Bonds5

About N-(3-formamido-2-methylphenyl)-2-methylbutanamide

N-(3-formamido-2-methylphenyl)-2-methylbutanamide (PubChem CID 168650874) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-formamido-2-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-formamido-2-methylphenyl)-2-methylbutanamide
PubChem CID168650874
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-formamido-2-methylphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(NC=O)c1C
InChIInChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-6-11(10(12)3)14-8-16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyPCEYYOCJXHWFDS-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide
CID 131918278
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
3-formamido-2-methyl-N-(2-methylpropyl)benzamide
CID 168651028
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176

Frequently Asked Questions

What is the IUPAC name of N-(3-formamido-2-methylphenyl)-2-methylbutanamide?
The IUPAC name of N-(3-formamido-2-methylphenyl)-2-methylbutanamide (CID 168650874) is N-(3-formamido-2-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-formamido-2-methylphenyl)-2-methylbutanamide?
The canonical SMILES for N-(3-formamido-2-methylphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cccc(NC=O)c1C.
What is the InChIKey of N-(3-formamido-2-methylphenyl)-2-methylbutanamide?
The InChIKey is PCEYYOCJXHWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-6-11(10(12)3)14-8-16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-formamido-2-methylphenyl)-2-methylbutanamide?
N-(3-formamido-2-methylphenyl)-2-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamido-2-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 168650874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).