2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide

C14H23N3O — CID 123210536

IUPAC2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide
SMILESCc1ccc(NC(=O)C(N)C(C)CCN)cc1C
InChIInChI=1S/C14H23N3O/c1-9-4-5-12(8-11(9)3)17-14(18)13(16)10(2)6-7-15/h4-5,8,10,13H,6-7,15-16H2,1-3H3,(H,17,18)
InChIKeyGCHJZPQBGHMIBZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.55
Rot. Bonds5

About 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide

2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide (PubChem CID 123210536) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide
PubChem CID123210536
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide
SMILESCc1ccc(NC(=O)C(N)C(C)CCN)cc1C
InChIInChI=1S/C14H23N3O/c1-9-4-5-12(8-11(9)3)17-14(18)13(16)10(2)6-7-15/h4-5,8,10,13H,6-7,15-16H2,1-3H3,(H,17,18)
InChIKeyGCHJZPQBGHMIBZ-UHFFFAOYSA-N
XLogP1.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
4-amino-N-(3,4-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119335
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide?
The IUPAC name of 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide (CID 123210536) is 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide?
The canonical SMILES for 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide is Cc1ccc(NC(=O)C(N)C(C)CCN)cc1C.
What is the InChIKey of 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide?
The InChIKey is GCHJZPQBGHMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-4-5-12(8-11(9)3)17-14(18)13(16)10(2)6-7-15/h4-5,8,10,13H,6-7,15-16H2,1-3H3,(H,17,18).
What are the key properties of 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide?
2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide has a molecular weight of 249.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide is sourced from PubChem (CID 123210536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).