3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide

C15H23N3O2 — CID 86910444

IUPAC3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CN(C)c1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-4-11(2)14(15(16)20)17-13(19)10-18(3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFOHMPEXHQJJPOV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.14
Rot. Bonds7

About 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide

3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide (PubChem CID 86910444) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide
PubChem CID86910444
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CN(C)c1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-4-11(2)14(15(16)20)17-13(19)10-18(3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyFOHMPEXHQJJPOV-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
CID 110879934
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
CID 142272492
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide?
The IUPAC name of 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide (CID 86910444) is 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide.
What is the SMILES notation for 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide?
The canonical SMILES for 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide is CCC(C)C(NC(=O)CN(C)c1ccccc1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide?
The InChIKey is FOHMPEXHQJJPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(2)14(15(16)20)17-13(19)10-18(3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H2,16,20)(H,17,19).
What are the key properties of 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide?
3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide is sourced from PubChem (CID 86910444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).