2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide

C15H23N3O2 — CID 47133143

IUPAC2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-8-16-14(19)12(4)17-15(20)18-13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyWDBYZIUEFPISHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.34
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide

2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 47133143) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
PubChem CID47133143
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-8-16-14(19)12(4)17-15(20)18-13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyWDBYZIUEFPISHE-UHFFFAOYSA-N
XLogP2.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 51928325
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
(2R)-2-[(2,5-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79010334
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
CID 9452306
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide (CID 47133143) is 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is WDBYZIUEFPISHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-8-16-14(19)12(4)17-15(20)18-13-9-10(2)6-7-11(13)3/h6-7,9,12H,5,8H2,1-4H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide?
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 47133143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).