3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide

C24H31N3O3 — CID 56553427

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31N3O3/c1-27(18-20-8-4-2-5-9-20)23(29)25-15-12-22(28)26-19-24(13-16-30-17-14-24)21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,25,29)(H,26,28)
InChIKeyOIFNRQHHIFTXEH-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.08
Rot. Bonds8

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide (PubChem CID 56553427) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
PubChem CID56553427
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31N3O3/c1-27(18-20-8-4-2-5-9-20)23(29)25-15-12-22(28)26-19-24(13-16-30-17-14-24)21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,25,29)(H,26,28)
InChIKeyOIFNRQHHIFTXEH-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-phenylbutanamide
CID 60526265
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
CID 56581609
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111307317

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide (CID 56553427) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The InChIKey is OIFNRQHHIFTXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-27(18-20-8-4-2-5-9-20)23(29)25-15-12-22(28)26-19-24(13-16-30-17-14-24)21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide has a molecular weight of 409.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 56553427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).