N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide

C19H29NO3 — CID 156687030

IUPACN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCc1ccc(CO)c(CO)c1
InChIInChI=1S/C19H29NO3/c21-13-17-8-6-16(12-18(17)14-22)10-11-20-19(23)9-7-15-4-2-1-3-5-15/h6,8,12,15,21-22H,1-5,7,9-11,13-14H2,(H,20,23)
InChIKeyJJNDZGXZJPOFAZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.69
Rot. Bonds8

About N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide

N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide (PubChem CID 156687030) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide
PubChem CID156687030
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCc1ccc(CO)c(CO)c1
InChIInChI=1S/C19H29NO3/c21-13-17-8-6-16(12-18(17)14-22)10-11-20-19(23)9-7-15-4-2-1-3-5-15/h6,8,12,15,21-22H,1-5,7,9-11,13-14H2,(H,20,23)
InChIKeyJJNDZGXZJPOFAZ-UHFFFAOYSA-N
XLogP2.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
CID 63793330
4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
3-cyclohexyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568181
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751609
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide (CID 156687030) is N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCCc1ccc(CO)c(CO)c1.
What is the InChIKey of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide?
The InChIKey is JJNDZGXZJPOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-13-17-8-6-16(12-18(17)14-22)10-11-20-19(23)9-7-15-4-2-1-3-5-15/h6,8,12,15,21-22H,1-5,7,9-11,13-14H2,(H,20,23).
What are the key properties of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide?
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 156687030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).