2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide

C18H28N2O3 — CID 111430562

IUPAC2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(O)CNC(=O)C(C)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(20-11-5-3-4-6-12-20)18(22)19-13-17(21)15-7-9-16(23-2)10-8-15/h7-10,14,17,21H,3-6,11-13H2,1-2H3,(H,19,22)
InChIKeyCEZQKJIEIODOQH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.11
Rot. Bonds6

About 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide

2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 111430562) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID111430562
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(O)CNC(=O)C(C)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(20-11-5-3-4-6-12-20)18(22)19-13-17(21)15-7-9-16(23-2)10-8-15/h7-10,14,17,21H,3-6,11-13H2,1-2H3,(H,19,22)
InChIKeyCEZQKJIEIODOQH-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110312807
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
(2S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742411
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide (CID 111430562) is 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(O)CNC(=O)C(C)N2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is CEZQKJIEIODOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(20-11-5-3-4-6-12-20)18(22)19-13-17(21)15-7-9-16(23-2)10-8-15/h7-10,14,17,21H,3-6,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 111430562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).