N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide

C17H27NO3 — CID 103722806

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
SMILESCCCC(CCO)CNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-15(11-12-19)13-18-17(20)10-7-14-5-8-16(21-2)9-6-14/h5-6,8-9,15,19H,3-4,7,10-13H2,1-2H3,(H,18,20)
InChIKeyLDTNLBDNBDOQPO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.54
Rot. Bonds10

About N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide

N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 103722806) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
PubChem CID103722806
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
SMILESCCCC(CCO)CNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-15(11-12-19)13-18-17(20)10-7-14-5-8-16(21-2)9-6-14/h5-6,8-9,15,19H,3-4,7,10-13H2,1-2H3,(H,18,20)
InChIKeyLDTNLBDNBDOQPO-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
N-[2-(2-hydroxyethyl)pentyl]-3-pyridin-4-ylpropanamide
CID 103722641
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide (CID 103722806) is N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide is CCCC(CCO)CNC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is LDTNLBDNBDOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-15(11-12-19)13-18-17(20)10-7-14-5-8-16(21-2)9-6-14/h5-6,8-9,15,19H,3-4,7,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 103722806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).