2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide

C14H20N2O — CID 60915187

IUPAC2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-13(7-11)9-16-14(17)10-15-8-12-5-6-12/h2-4,7,12,15H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyOXQDTRSAZBSIRG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.61
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide

2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 60915187) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID60915187
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-13(7-11)9-16-14(17)10-15-8-12-5-6-12/h2-4,7,12,15H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyOXQDTRSAZBSIRG-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide (CID 60915187) is 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is OXQDTRSAZBSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-2-4-13(7-11)9-16-14(17)10-15-8-12-5-6-12/h2-4,7,12,15H,5-6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide?
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60915187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).