N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide

C19H28N2O3 — CID 110127912

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)cc1
InChIInChI=1S/C19H28N2O3/c1-24-13-14-7-9-15(10-8-14)19(23)20-16-5-4-6-17(18(16)22)21-11-2-3-12-21/h7-10,16-18,22H,2-6,11-13H2,1H3,(H,20,23)/t16-,17?,18-/m1/s1
InChIKeyDURPNEFJKPQCLD-GVYDCBATSA-N
MW332.44 g/mol
LogP1.94
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide (PubChem CID 110127912) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
PubChem CID110127912
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)cc1
InChIInChI=1S/C19H28N2O3/c1-24-13-14-7-9-15(10-8-14)19(23)20-16-5-4-6-17(18(16)22)21-11-2-3-12-21/h7-10,16-18,22H,2-6,11-13H2,1H3,(H,20,23)/t16-,17?,18-/m1/s1
InChIKeyDURPNEFJKPQCLD-GVYDCBATSA-N
XLogP1.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
CID 97215389
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154641
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
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-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide (CID 110127912) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide?
The InChIKey is DURPNEFJKPQCLD-GVYDCBATSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-13-14-7-9-15(10-8-14)19(23)20-16-5-4-6-17(18(16)22)21-11-2-3-12-21/h7-10,16-18,22H,2-6,11-13H2,1H3,(H,20,23)/t16-,17?,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide has a molecular weight of 332.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 110127912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).