N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide

C26H29N3O2 — CID 118680007

IUPACN-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)N(C)c2ccccc2)cc1C(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-19-16-17-23(29(5)26(31)28(4)22-14-10-7-11-15-22)18-24(19)20(2)25(30)27(3)21-12-8-6-9-13-21/h6-18,20H,1-5H3
InChIKeyWKCPFXFMVYDULH-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.45
Rot. Bonds5

About N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide

N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide (PubChem CID 118680007) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide
PubChem CID118680007
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)N(C)c2ccccc2)cc1C(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-19-16-17-23(29(5)26(31)28(4)22-14-10-7-11-15-22)18-24(19)20(2)25(30)27(3)21-12-8-6-9-13-21/h6-18,20H,1-5H3
InChIKeyWKCPFXFMVYDULH-UHFFFAOYSA-N
XLogP5.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
CID 95599311
(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
CID 95990665
(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
CID 8593153
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
N,2-dimethyl-N-phenylbenzamide
CID 5222383
2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
CID 68882246
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide?
The IUPAC name of N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide (CID 118680007) is N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide.
What is the SMILES notation for N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide?
The canonical SMILES for N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide is Cc1ccc(N(C)C(=O)N(C)c2ccccc2)cc1C(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide?
The InChIKey is WKCPFXFMVYDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-16-17-23(29(5)26(31)28(4)22-14-10-7-11-15-22)18-24(19)20(2)25(30)27(3)21-12-8-6-9-13-21/h6-18,20H,1-5H3.
What are the key properties of N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide?
N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide is sourced from PubChem (CID 118680007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).