N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide

C18H21N3O2 — CID 113054043

IUPACN-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-15(22)21(14-16-8-4-2-5-9-16)13-12-19-18(23)20-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H2,19,20,23)
InChIKeyJRRGQDZSGUSQQC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.86
Rot. Bonds6

About N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide

N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide (PubChem CID 113054043) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
PubChem CID113054043
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-15(22)21(14-16-8-4-2-5-9-16)13-12-19-18(23)20-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H2,19,20,23)
InChIKeyJRRGQDZSGUSQQC-UHFFFAOYSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113053321
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113056611
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
1-phenyl-3-[2-[4-phenylbutyl(propyl)amino]ethyl]urea;hydrobromide
CID 70412963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide (CID 113054043) is N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The InChIKey is JRRGQDZSGUSQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-15(22)21(14-16-8-4-2-5-9-16)13-12-19-18(23)20-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H2,19,20,23).
What are the key properties of N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113054043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).