3-(1-phenylethylamino)-N-propan-2-ylbenzamide

C18H22N2O — CID 43693971

IUPAC3-(1-phenylethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-13(2)19-18(21)16-10-7-11-17(12-16)20-14(3)15-8-5-4-6-9-15/h4-14,20H,1-3H3,(H,19,21)
InChIKeyZYQYONSMDNZMCY-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.00
Rot. Bonds5

About 3-(1-phenylethylamino)-N-propan-2-ylbenzamide

3-(1-phenylethylamino)-N-propan-2-ylbenzamide (PubChem CID 43693971) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(1-phenylethylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(1-phenylethylamino)-N-propan-2-ylbenzamide
PubChem CID43693971
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(1-phenylethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-13(2)19-18(21)16-10-7-11-17(12-16)20-14(3)15-8-5-4-6-9-15/h4-14,20H,1-3H3,(H,19,21)
InChIKeyZYQYONSMDNZMCY-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
3-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 43139392

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(1-phenylethylamino)-N-propan-2-ylbenzamide (CID 43693971) is 3-(1-phenylethylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(1-phenylethylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(1-phenylethylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(C)c2ccccc2)c1.
What is the InChIKey of 3-(1-phenylethylamino)-N-propan-2-ylbenzamide?
The InChIKey is ZYQYONSMDNZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)19-18(21)16-10-7-11-17(12-16)20-14(3)15-8-5-4-6-9-15/h4-14,20H,1-3H3,(H,19,21).
What are the key properties of 3-(1-phenylethylamino)-N-propan-2-ylbenzamide?
3-(1-phenylethylamino)-N-propan-2-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43693971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).