N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide

C13H18N2O — CID 62662954

IUPACN-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)13(16)15-9-8-14-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyCPVAMFHBQWRWSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide

N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide (PubChem CID 62662954) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
PubChem CID62662954
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)13(16)15-9-8-14-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyCPVAMFHBQWRWSI-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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

4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide (CID 62662954) is N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide?
The InChIKey is CPVAMFHBQWRWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)13(16)15-9-8-14-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide?
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 62662954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).