N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide

C19H24N2O — CID 112980469

IUPACN-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-5-15(4)20-17-8-10-18(11-9-17)21-19(22)16-7-6-13(2)14(3)12-16/h6-12,15,20H,5H2,1-4H3,(H,21,22)
InChIKeyQTHPTGGIYSLRES-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.77
Rot. Bonds5

About N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide

N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide (PubChem CID 112980469) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
PubChem CID112980469
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-5-15(4)20-17-8-10-18(11-9-17)21-19(22)16-7-6-13(2)14(3)12-16/h6-12,15,20H,5H2,1-4H3,(H,21,22)
InChIKeyQTHPTGGIYSLRES-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109225394
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide (CID 112980469) is N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide is CCC(C)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide?
The InChIKey is QTHPTGGIYSLRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-15(4)20-17-8-10-18(11-9-17)21-19(22)16-7-6-13(2)14(3)12-16/h6-12,15,20H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide?
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 112980469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).