4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide

C13H21N3O — CID 66432895

IUPAC4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
SMILESCc1ccc(NC(CN)CC(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-10-4-6-11(7-5-10)15-12(9-14)8-13(17)16(2)3/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyQQIMQAOZFQMZAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.21
Rot. Bonds5

About 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide

4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide (PubChem CID 66432895) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
PubChem CID66432895
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
SMILESCc1ccc(NC(CN)CC(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-10-4-6-11(7-5-10)15-12(9-14)8-13(17)16(2)3/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyQQIMQAOZFQMZAM-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methylanilino)hexanoate
CID 155464444
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
2-(4-methylanilino)butanediamide
CID 66427556
4,4-dimethoxy-2-N-(4-methylphenyl)butane-1,2-diamine
CID 66268435
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494
3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
CID 82127044
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
CID 65377551
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide (CID 66432895) is 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide is Cc1ccc(NC(CN)CC(=O)N(C)C)cc1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide?
The InChIKey is QQIMQAOZFQMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-6-11(7-5-10)15-12(9-14)8-13(17)16(2)3/h4-7,12,15H,8-9,14H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide?
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide is sourced from PubChem (CID 66432895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).