4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide

C15H23N3O2 — CID 120558863

IUPAC4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCC(C)N)cc1
InChIInChI=1S/C15H23N3O2/c1-11-4-7-13(8-5-11)17-14(19)10-18(3)15(20)9-6-12(2)16/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,19)
InChIKeyZLCFYCUPELJQIV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds6

About 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide

4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide (PubChem CID 120558863) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
PubChem CID120558863
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCC(C)N)cc1
InChIInChI=1S/C15H23N3O2/c1-11-4-7-13(8-5-11)17-14(19)10-18(3)15(20)9-6-12(2)16/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,19)
InChIKeyZLCFYCUPELJQIV-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9087810
2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide (CID 120558863) is 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide?
The InChIKey is ZLCFYCUPELJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-4-7-13(8-5-11)17-14(19)10-18(3)15(20)9-6-12(2)16/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide?
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 120558863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).