N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

C22H26N2O2 — CID 46420384

IUPACN-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-16-6-8-17(9-7-16)10-13-21(25)23-15-18-4-3-5-20(14-18)24-22(26)19-11-12-19/h3-9,14,19H,2,10-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXIMFWTIJPYUFHK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.85
Rot. Bonds8

About N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 46420384) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID46420384
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-16-6-8-17(9-7-16)10-13-21(25)23-15-18-4-3-5-20(14-18)24-22(26)19-11-12-19/h3-9,14,19H,2,10-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXIMFWTIJPYUFHK-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
CID 55768894
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 46420384) is N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide is CCc1ccc(CCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XIMFWTIJPYUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-16-6-8-17(9-7-16)10-13-21(25)23-15-18-4-3-5-20(14-18)24-22(26)19-11-12-19/h3-9,14,19H,2,10-13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46420384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).