N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide

C18H21N3O2 — CID 33155134

IUPACN-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-3-4-14(13(2)11-12)5-10-17(22)20-15-6-8-16(9-7-15)21-18(19)23/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyQVFFYMOKVRSCEE-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide

N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 33155134) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID33155134
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-3-4-14(13(2)11-12)5-10-17(22)20-15-6-8-16(9-7-15)21-18(19)23/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyQVFFYMOKVRSCEE-UHFFFAOYSA-N
XLogP3.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24647268
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120566818
3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
CID 24620392
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
3-[3-(2,4-dimethylphenyl)propanoylamino]-5-methylsulfonylbenzoic acid
CID 119257783
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide (CID 33155134) is N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is QVFFYMOKVRSCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-3-4-14(13(2)11-12)5-10-17(22)20-15-6-8-16(9-7-15)21-18(19)23/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)(H3,19,21,23).
What are the key properties of N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide?
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 33155134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).