N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide

C16H24N2O2 — CID 115706375

IUPACN-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C)cc1C(C)NCCNC(=O)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-4-7-15(20-3)14(10-11)12(2)17-8-9-18-16(19)13-5-6-13/h4,7,10,12-13,17H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeySWHBKTUPQYHBML-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds7

About N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706375) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706375
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C)cc1C(C)NCCNC(=O)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-4-7-15(20-3)14(10-11)12(2)17-8-9-18-16(19)13-5-6-13/h4,7,10,12-13,17H,5-6,8-9H2,1-3H3,(H,18,19)
InChIKeySWHBKTUPQYHBML-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
N-(2-methoxyethyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]acetamide
CID 115573579
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 115706375) is N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide is COc1ccc(C)cc1C(C)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is SWHBKTUPQYHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-7-15(20-3)14(10-11)12(2)17-8-9-18-16(19)13-5-6-13/h4,7,10,12-13,17H,5-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).