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

C18H21N3O2 — CID 112992911

IUPACN-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-21(14-15-9-5-3-6-10-15)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,19,20,23)
InChIKeySIOPFCRUWPWQSS-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds6

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

N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide (PubChem CID 112992911) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
PubChem CID112992911
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-21(14-15-9-5-3-6-10-15)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,19,20,23)
InChIKeySIOPFCRUWPWQSS-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 ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112992893
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide (CID 112992911) is N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide is CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide?
The InChIKey is SIOPFCRUWPWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-21(14-15-9-5-3-6-10-15)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,19,20,23).
What are the key properties of N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide?
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide has a molecular weight of 311.38 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-ethyl-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 112992911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).