N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide

C15H22N2O2 — CID 108941829

IUPACN'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-12(4)16-14(18)9-15(19)17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNMPDEVQUABJGJE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds5

About N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide

N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide (PubChem CID 108941829) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
PubChem CID108941829
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-12(4)16-14(18)9-15(19)17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNMPDEVQUABJGJE-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
CID 108941868
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
N'-[[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 129441113
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
1-butan-2-yl-3-(3-chloro-4-methylphenyl)thiourea
CID 17263472

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide?
The IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide (CID 108941829) is N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide?
The canonical SMILES for N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide is CCC(C)NC(=O)CC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide?
The InChIKey is NMPDEVQUABJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-12(4)16-14(18)9-15(19)17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide?
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide has a molecular weight of 262.35 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'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 108941829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).