N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide

C25H32N2O4 — CID 110145732

IUPACN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C25H32N2O4/c1-26(22-13-14-23(24(22)28)31-21-7-3-2-4-8-21)25(29)19-9-11-20(12-10-19)30-18-17-27-15-5-6-16-27/h2-4,7-12,22-24,28H,5-6,13-18H2,1H3/t22-,23-,24-/m1/s1
InChIKeyCUUQZAHYWPOZNQ-WXFUMESZSA-N
MW424.54 g/mol
LogP3.20
Rot. Bonds8

About N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide

N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 110145732) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID110145732
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C25H32N2O4/c1-26(22-13-14-23(24(22)28)31-21-7-3-2-4-8-21)25(29)19-9-11-20(12-10-19)30-18-17-27-15-5-6-16-27/h2-4,7-12,22-24,28H,5-6,13-18H2,1H3/t22-,23-,24-/m1/s1
InChIKeyCUUQZAHYWPOZNQ-WXFUMESZSA-N
XLogP3.20
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154639
4-(2-aminoethyl)-N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylbenzamide
CID 110147140
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110158764
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110155235
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145734

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 110145732) is N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide is CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is CUUQZAHYWPOZNQ-WXFUMESZSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-26(22-13-14-23(24(22)28)31-21-7-3-2-4-8-21)25(29)19-9-11-20(12-10-19)30-18-17-27-15-5-6-16-27/h2-4,7-12,22-24,28H,5-6,13-18H2,1H3/t22-,23-,24-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 424.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclopentyl]-N-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110145732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).