(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide

C14H20BrN3O2 — CID 51928325

IUPAC(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-12-6-5-9(2)8-11(12)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyDEYMKMACALZTCN-JTQLQIEISA-N
MW342.24 g/mol
LogP2.79
Rot. Bonds5

About (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide

(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 51928325) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
PubChem CID51928325
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-12-6-5-9(2)8-11(12)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyDEYMKMACALZTCN-JTQLQIEISA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
1-(2-bromo-4-methylphenyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111442947
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide (CID 51928325) is (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is DEYMKMACALZTCN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-12-6-5-9(2)8-11(12)15/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 342.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 51928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).