N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide

C13H18N2O — CID 43507625

IUPACN-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCNC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-9(14-2)10-5-7-12(8-6-10)15-13(16)11-3-4-11/h5-9,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyARSBEZUEIHQXIJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.32
Rot. Bonds4

About N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 43507625) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID43507625
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCNC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-9(14-2)10-5-7-12(8-6-10)15-13(16)11-3-4-11/h5-9,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyARSBEZUEIHQXIJ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
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N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
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N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
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CID 43507810
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiane-2-carboxamide
CID 104517869
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
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CID 82359770

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 43507625) is N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide is CNC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ARSBEZUEIHQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(14-2)10-5-7-12(8-6-10)15-13(16)11-3-4-11/h5-9,11,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43507625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).