N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide

C17H26N2O — CID 62302187

IUPACN-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
SMILESNCCc1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-13,18H2,(H,19,20)
InChIKeyMSFZVINJUWUMIE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.49
Rot. Bonds6

About N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide

N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide (PubChem CID 62302187) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
PubChem CID62302187
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
SMILESNCCc1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-13,18H2,(H,19,20)
InChIKeyMSFZVINJUWUMIE-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclohexyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide
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2-[4-(2-cyclohexylethyl)phenyl]ethanamine
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3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
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CID 79767583
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide (CID 62302187) is N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide is NCCc1ccc(NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide?
The InChIKey is MSFZVINJUWUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-12-15-6-9-16(10-7-15)19-17(20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-13,18H2,(H,19,20).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide?
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 62302187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).