N,N'-bis(2,3-dimethylphenyl)butanediamide

C20H24N2O2 — CID 4250073

IUPACN,N'-bis(2,3-dimethylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C20H24N2O2/c1-13-7-5-9-17(15(13)3)21-19(23)11-12-20(24)22-18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQCHYANLGHLROQS-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.28
Rot. Bonds5

About N,N'-bis(2,3-dimethylphenyl)butanediamide

N,N'-bis(2,3-dimethylphenyl)butanediamide (PubChem CID 4250073) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,N'-bis(2,3-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3-dimethylphenyl)butanediamide
PubChem CID4250073
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,N'-bis(2,3-dimethylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C20H24N2O2/c1-13-7-5-9-17(15(13)3)21-19(23)11-12-20(24)22-18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQCHYANLGHLROQS-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
CID 110389902
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dimethylphenyl)butanediamide?
The IUPAC name of N,N'-bis(2,3-dimethylphenyl)butanediamide (CID 4250073) is N,N'-bis(2,3-dimethylphenyl)butanediamide.
What is the SMILES notation for N,N'-bis(2,3-dimethylphenyl)butanediamide?
The canonical SMILES for N,N'-bis(2,3-dimethylphenyl)butanediamide is Cc1cccc(NC(=O)CCC(=O)Nc2cccc(C)c2C)c1C.
What is the InChIKey of N,N'-bis(2,3-dimethylphenyl)butanediamide?
The InChIKey is QCHYANLGHLROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-7-5-9-17(15(13)3)21-19(23)11-12-20(24)22-18-10-6-8-14(2)16(18)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2,3-dimethylphenyl)butanediamide?
N,N'-bis(2,3-dimethylphenyl)butanediamide has a molecular weight of 324.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dimethylphenyl)butanediamide is sourced from PubChem (CID 4250073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).