3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide

C23H29N3O2 — CID 74250955

IUPAC3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyXNJXDANNOXIMED-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds8

About 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide

3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide (PubChem CID 74250955) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
PubChem CID74250955
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyXNJXDANNOXIMED-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide (CID 74250955) is 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1cccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1.
What is the InChIKey of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
The InChIKey is XNJXDANNOXIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-22(27)14-13-18-9-6-12-21(15-18)25-23(28)26(17-20-10-5-11-20)16-19-7-3-2-4-8-19/h2-4,6-9,12,15,20H,5,10-11,13-14,16-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide?
3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[benzyl(cyclobutylmethyl)carbamoyl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 74250955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).