N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide

C14H19NO4 — CID 98783443

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1C[C@@H](CO)[C@@H](O)C1
InChIInChI=1S/C14H19NO4/c1-19-13-5-3-2-4-11(13)14(18)15-10-6-9(8-16)12(17)7-10/h2-5,9-10,12,16-17H,6-8H2,1H3,(H,15,18)/t9-,10-,12-/m0/s1
InChIKeyPVJLLNZYCYYVSV-NHCYSSNCSA-N
MW265.31 g/mol
LogP0.56
Rot. Bonds4

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide (PubChem CID 98783443) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
PubChem CID98783443
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1C[C@@H](CO)[C@@H](O)C1
InChIInChI=1S/C14H19NO4/c1-19-13-5-3-2-4-11(13)14(18)15-10-6-9(8-16)12(17)7-10/h2-5,9-10,12,16-17H,6-8H2,1H3,(H,15,18)/t9-,10-,12-/m0/s1
InChIKeyPVJLLNZYCYYVSV-NHCYSSNCSA-N
XLogP0.56
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 98783372
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-2-methoxybenzamide
CID 110202517
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide (CID 98783443) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@H]1C[C@@H](CO)[C@@H](O)C1.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide?
The InChIKey is PVJLLNZYCYYVSV-NHCYSSNCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-13-5-3-2-4-11(13)14(18)15-10-6-9(8-16)12(17)7-10/h2-5,9-10,12,16-17H,6-8H2,1H3,(H,15,18)/t9-,10-,12-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide is sourced from PubChem (CID 98783443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).