2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide

C15H23N3O2 — CID 43700724

IUPAC2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-13(19)17-11-7-6-10(4)12(8-11)18-15(20)14(16)9(2)3/h6-9,14H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRWQFDLYOKBXJGT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide

2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide (PubChem CID 43700724) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
PubChem CID43700724
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-13(19)17-11-7-6-10(4)12(8-11)18-15(20)14(16)9(2)3/h6-9,14H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRWQFDLYOKBXJGT-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
(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
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide (CID 43700724) is 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1.
What is the InChIKey of 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The InChIKey is RWQFDLYOKBXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-13(19)17-11-7-6-10(4)12(8-11)18-15(20)14(16)9(2)3/h6-9,14H,5,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 43700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).