2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide

C18H27NO3 — CID 111537902

IUPAC2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C18H27NO3/c1-22-16-9-5-7-15(13-16)8-6-12-19-17(20)14-18(21)10-3-2-4-11-18/h5,7,9,13,21H,2-4,6,8,10-12,14H2,1H3,(H,19,20)
InChIKeyQREVZBLWNYJVRW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.83
Rot. Bonds7

About 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 111537902) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID111537902
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CC2(O)CCCCC2)c1
InChIInChI=1S/C18H27NO3/c1-22-16-9-5-7-15(13-16)8-6-12-19-17(20)14-18(21)10-3-2-4-11-18/h5,7,9,13,21H,2-4,6,8,10-12,14H2,1H3,(H,19,20)
InChIKeyQREVZBLWNYJVRW-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 111537902) is 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CC2(O)CCCCC2)c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is QREVZBLWNYJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-22-16-9-5-7-15(13-16)8-6-12-19-17(20)14-18(21)10-3-2-4-11-18/h5,7,9,13,21H,2-4,6,8,10-12,14H2,1H3,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 111537902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).