N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide

C18H21N3O2 — CID 42928470

IUPACN-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14(15-9-5-3-6-10-15)21(2)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H2,19,20,23)
InChIKeyOZLPTNJWFISOEE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide

N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide (PubChem CID 42928470) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
PubChem CID42928470
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14(15-9-5-3-6-10-15)21(2)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H2,19,20,23)
InChIKeyOZLPTNJWFISOEE-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466353
N-methyl-2-[[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8772476
methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
CID 43409770
4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 143051805
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide (CID 42928470) is N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide?
The InChIKey is OZLPTNJWFISOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(15-9-5-3-6-10-15)21(2)17(22)13-19-18(23)20-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H2,19,20,23).
What are the key properties of N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide?
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42928470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).