N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide

C16H23NO3 — CID 65122861

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO3/c18-14-7-5-13(6-8-14)11-15(19)17-12-16(20)9-3-1-2-4-10-16/h5-8,18,20H,1-4,9-12H2,(H,17,19)
InChIKeyIWKLXYJVUDZRKH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.14
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 65122861) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID65122861
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO3/c18-14-7-5-13(6-8-14)11-15(19)17-12-16(20)9-3-1-2-4-10-16/h5-8,18,20H,1-4,9-12H2,(H,17,19)
InChIKeyIWKLXYJVUDZRKH-UHFFFAOYSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111485845
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[(1-hydroxycycloheptyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 77056779
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide (CID 65122861) is N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is IWKLXYJVUDZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-14-7-5-13(6-8-14)11-15(19)17-12-16(20)9-3-1-2-4-10-16/h5-8,18,20H,1-4,9-12H2,(H,17,19).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 65122861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).