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

C13H18N2O — CID 62663478

IUPACN-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC1CC1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)13(16)15-9-8-14-11-6-7-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)
InChIKeyNHBSREASSXPGFR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds5

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

N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide (PubChem CID 62663478) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
PubChem CID62663478
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC1CC1
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)13(16)15-9-8-14-11-6-7-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)
InChIKeyNHBSREASSXPGFR-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

N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
N-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]-2-methylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010779
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide (CID 62663478) is N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide?
The InChIKey is NHBSREASSXPGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-3-5-12(10)13(16)15-9-8-14-11-6-7-11/h2-5,11,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide?
N-[2-(cyclopropylamino)ethyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 62663478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).