N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide

C21H27N3O2 — CID 23826181

IUPACN-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
SMILESCC(C)CNC(=O)NCc1cccc(CNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-16(2)13-23-21(26)24-15-19-10-6-9-18(11-19)14-22-20(25)12-17-7-4-3-5-8-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyPLXILGOCUMMCDT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.00
Rot. Bonds8

About N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide

N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide (PubChem CID 23826181) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
PubChem CID23826181
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
SMILESCC(C)CNC(=O)NCc1cccc(CNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-16(2)13-23-21(26)24-15-19-10-6-9-18(11-19)14-22-20(25)12-17-7-4-3-5-8-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyPLXILGOCUMMCDT-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide (CID 23826181) is N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide is CC(C)CNC(=O)NCc1cccc(CNC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is PLXILGOCUMMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)13-23-21(26)24-15-19-10-6-9-18(11-19)14-22-20(25)12-17-7-4-3-5-8-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide?
N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 353.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 23826181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).