N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide

C15H22N2O — CID 115641192

IUPACN-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1CNCCNC(=O)C1CC1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(2)14(11)10-16-8-9-17-15(18)13-6-7-13/h3-5,13,16H,6-10H2,1-2H3,(H,17,18)
InChIKeyNZFHGNOSWJCSFK-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115641192) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115641192
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1CNCCNC(=O)C1CC1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(2)14(11)10-16-8-9-17-15(18)13-6-7-13/h3-5,13,16H,6-10H2,1-2H3,(H,17,18)
InChIKeyNZFHGNOSWJCSFK-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115611200
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602924
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide
CID 47129696
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 115641192) is N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide is Cc1cccc(C)c1CNCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is NZFHGNOSWJCSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-12(2)14(11)10-16-8-9-17-15(18)13-6-7-13/h3-5,13,16H,6-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115641192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).