2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide

C18H20N2O — CID 61312189

IUPAC2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O/c19-17(21)12-13-6-10-16(11-7-13)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18,20H,8-9,12H2,(H2,19,21)
InChIKeyIQYNNOYLDDMJCE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide

2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide (PubChem CID 61312189) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
PubChem CID61312189
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O/c19-17(21)12-13-6-10-16(11-7-13)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18,20H,8-9,12H2,(H2,19,21)
InChIKeyIQYNNOYLDDMJCE-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
CID 61313949
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
2-[[cyclopropyl(phenyl)methyl]amino]oxyacetamide
CID 112672575
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
CID 110902815
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 46513490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide (CID 61312189) is 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide?
The InChIKey is IQYNNOYLDDMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17(21)12-13-6-10-16(11-7-13)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18,20H,8-9,12H2,(H2,19,21).
What are the key properties of 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide?
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide is sourced from PubChem (CID 61312189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).