2-(4-methylanilino)butanediamide

C11H15N3O2 — CID 66427556

IUPAC2-(4-methylanilino)butanediamide
SMILESCc1ccc(NC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)14-9(11(13)16)6-10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyWSULWGROVOGRFL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.14
Rot. Bonds5

About 2-(4-methylanilino)butanediamide

2-(4-methylanilino)butanediamide (PubChem CID 66427556) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methylanilino)butanediamide.

Molecular Properties

Compound Name2-(4-methylanilino)butanediamide
PubChem CID66427556
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(4-methylanilino)butanediamide
SMILESCc1ccc(NC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)14-9(11(13)16)6-10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyWSULWGROVOGRFL-UHFFFAOYSA-N
XLogP0.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-azido-2-(4-methylanilino)propanamide
CID 66429219
2-(4-methylanilino)butanehydrazide
CID 25219138
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
2-(4-iodoanilino)butanamide
CID 62900403
3-methyl-2-(4-methylanilino)but-3-enamide
CID 114784358
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494
2-(4-methoxyanilino)butanamide
CID 61005469
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
CID 66432895
2-(4-methylanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 61005259
2-[4-(dimethylamino)anilino]butanamide
CID 62900216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)butanediamide?
The IUPAC name of 2-(4-methylanilino)butanediamide (CID 66427556) is 2-(4-methylanilino)butanediamide.
What is the SMILES notation for 2-(4-methylanilino)butanediamide?
The canonical SMILES for 2-(4-methylanilino)butanediamide is Cc1ccc(NC(CC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-(4-methylanilino)butanediamide?
The InChIKey is WSULWGROVOGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-2-4-8(5-3-7)14-9(11(13)16)6-10(12)15/h2-5,9,14H,6H2,1H3,(H2,12,15)(H2,13,16).
What are the key properties of 2-(4-methylanilino)butanediamide?
2-(4-methylanilino)butanediamide has a molecular weight of 221.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)butanediamide is sourced from PubChem (CID 66427556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).