2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide

C13H18N2O — CID 60712191

IUPAC2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c1-14-12(16)9-15-13(11-7-8-11)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16)
InChIKeyRURQVNZFEPLYCX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.47
Rot. Bonds5

About 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide

2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide (PubChem CID 60712191) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
PubChem CID60712191
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O/c1-14-12(16)9-15-13(11-7-8-11)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16)
InChIKeyRURQVNZFEPLYCX-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
2-[[cyclopropyl(phenyl)methyl]amino]-N-ethyl-N-methylacetamide
CID 113304647
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311
2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
CID 112806598
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801601
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 112806614
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide (CID 60712191) is 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide is CNC(=O)CNC(c1ccccc1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide?
The InChIKey is RURQVNZFEPLYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-12(16)9-15-13(11-7-8-11)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16).
What are the key properties of 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide?
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 60712191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).