N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide

C15H22N2O — CID 91645347

IUPACN-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)NCCNC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-3-5-13(6-4-11)12(2)15(18)17-10-9-16-14-7-8-14/h3-6,12,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyQQHCIZKFNNEHDS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide

N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide (PubChem CID 91645347) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide
PubChem CID91645347
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)NCCNC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-3-5-13(6-4-11)12(2)15(18)17-10-9-16-14-7-8-14/h3-6,12,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyQQHCIZKFNNEHDS-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-(2-hydroxypropyl)-2-(4-methylphenyl)propanamide
CID 144745101
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
2-(cyclopropylamino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 54861999
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide (CID 91645347) is N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)C(=O)NCCNC2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide?
The InChIKey is QQHCIZKFNNEHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-5-13(6-4-11)12(2)15(18)17-10-9-16-14-7-8-14/h3-6,12,14,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide?
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 91645347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).