N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide

C21H26N2O4 — CID 110158004

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-23(2)19-17(22-21(25)14-9-11-15(26-3)12-10-14)13-18(20(19)24)27-16-7-5-4-6-8-16/h4-12,17-20,24H,13H2,1-3H3,(H,22,25)/t17-,18-,19+,20+/m1/s1
InChIKeyRKPDMPYLIBWOMM-ZRNYENFQSA-N
MW370.45 g/mol
LogP1.94
Rot. Bonds6

About N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide (PubChem CID 110158004) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
PubChem CID110158004
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-23(2)19-17(22-21(25)14-9-11-15(26-3)12-10-14)13-18(20(19)24)27-16-7-5-4-6-8-16/h4-12,17-20,24H,13H2,1-3H3,(H,22,25)/t17-,18-,19+,20+/m1/s1
InChIKeyRKPDMPYLIBWOMM-ZRNYENFQSA-N
XLogP1.94
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide (CID 110158004) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)C)cc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide?
The InChIKey is RKPDMPYLIBWOMM-ZRNYENFQSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-23(2)19-17(22-21(25)14-9-11-15(26-3)12-10-14)13-18(20(19)24)27-16-7-5-4-6-8-16/h4-12,17-20,24H,13H2,1-3H3,(H,22,25)/t17-,18-,19+,20+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 110158004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).