N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

C17H25NO3 — CID 115759889

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CC2(O)CCCC2)ccc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-14(10-15(13)21-3)11-16(19)18(2)12-17(20)8-4-5-9-17/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyBAFHNTQQAWVCOK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (PubChem CID 115759889) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
PubChem CID115759889
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CC2(O)CCCC2)ccc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-14(10-15(13)21-3)11-16(19)18(2)12-17(20)8-4-5-9-17/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3
InChIKeyBAFHNTQQAWVCOK-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 115760287
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
CID 122151629
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 114948949
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (CID 115759889) is N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is COc1cc(CC(=O)N(C)CC2(O)CCCC2)ccc1C.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The InChIKey is BAFHNTQQAWVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-6-7-14(10-15(13)21-3)11-16(19)18(2)12-17(20)8-4-5-9-17/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 115759889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).