1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide

C18H27NO3 — CID 110922178

IUPAC1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)OCc1cccc(CNC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-13-15-8-6-7-14(11-15)12-19-16(20)18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20)
InChIKeySDALVBZQVWATLD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.92
Rot. Bonds5

About 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide

1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 110922178) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID110922178
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)OCc1cccc(CNC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-13-15-8-6-7-14(11-15)12-19-16(20)18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20)
InChIKeySDALVBZQVWATLD-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
2-(methylamino)-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]acetamide;hydrochloride
CID 120704236
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
1-[(3-fluorophenyl)methyl]-2-methyl-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]guanidine
CID 111877365
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
methyl 2-[[3-[[(1-methoxy-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]methyl]phenyl]methylcarbamoylamino]-3,3-dimethylbutanoate
CID 90084118

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 110922178) is 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide is CC(C)(C)OCc1cccc(CNC(=O)C2(O)CCCC2)c1.
What is the InChIKey of 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is SDALVBZQVWATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2,3)22-13-15-8-6-7-14(11-15)12-19-16(20)18(21)9-4-5-10-18/h6-8,11,21H,4-5,9-10,12-13H2,1-3H3,(H,19,20).
What are the key properties of 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110922178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).