2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide

C19H23N3O2 — CID 51530628

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-7-9-17(10-8-15)13-21-19(24)22-14-18(23)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyPCDAAIYJTVVZGO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.15
Rot. Bonds7

About 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide

2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide (PubChem CID 51530628) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
PubChem CID51530628
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-7-9-17(10-8-15)13-21-19(24)22-14-18(23)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyPCDAAIYJTVVZGO-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide (CID 51530628) is 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide is Cc1ccc(CNC(=O)NCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is PCDAAIYJTVVZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-7-9-17(10-8-15)13-21-19(24)22-14-18(23)20-12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide?
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 51530628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).