2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide

C19H23N3O2 — CID 46949694

IUPAC2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-12(2)18(23)22-17-14(4)6-5-7-16(17)21-19(24)20-15-10-8-13(3)9-11-15/h5-12H,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyKQOCDLNFEQUUIC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.54
Rot. Bonds4

About 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide

2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide (PubChem CID 46949694) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
PubChem CID46949694
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-12(2)18(23)22-17-14(4)6-5-7-16(17)21-19(24)20-15-10-8-13(3)9-11-15/h5-12H,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyKQOCDLNFEQUUIC-UHFFFAOYSA-N
XLogP4.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
CID 6472575
N-[2-(ethylcarbamoylamino)-6-methylphenyl]-2-methylpropanamide
CID 46949700
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-[4-(2,6-dimethylanilino)phenyl]-3-propan-2-ylurea
CID 112986426
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide (CID 46949694) is 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide is Cc1ccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide?
The InChIKey is KQOCDLNFEQUUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)18(23)22-17-14(4)6-5-7-16(17)21-19(24)20-15-10-8-13(3)9-11-15/h5-12H,1-4H3,(H,22,23)(H2,20,21,24).
What are the key properties of 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide?
2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 46949694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).