2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

C15H23N3O2 — CID 62836559

IUPAC2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)NC)c1
InChIInChI=1S/C15H23N3O2/c1-6-13(19)17-11-8-7-10(2)12(9-11)18-14(20)15(3,4)16-5/h7-9,16H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyDHFXCOAANUEKSH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide (PubChem CID 62836559) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
PubChem CID62836559
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)NC)c1
InChIInChI=1S/C15H23N3O2/c1-6-13(19)17-11-8-7-10(2)12(9-11)18-14(20)15(3,4)16-5/h7-9,16H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyDHFXCOAANUEKSH-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide (CID 62836559) is 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)NC)c1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
The InChIKey is DHFXCOAANUEKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-13(19)17-11-8-7-10(2)12(9-11)18-14(20)15(3,4)16-5/h7-9,16H,6H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide?
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 62836559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).