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

C23H35N3O4 — CID 110154641

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C23H35N3O4/c27-22-20(4-3-5-21(22)26-13-15-29-16-14-26)24-23(28)18-6-8-19(9-7-18)30-17-12-25-10-1-2-11-25/h6-9,20-22,27H,1-5,10-17H2,(H,24,28)/t20-,21-,22-/m1/s1
InChIKeyOOWXEYHXNQRYKL-YPAWHYETSA-N
MW417.55 g/mol
LogP1.51
Rot. Bonds7

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

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 110154641) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID110154641
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C23H35N3O4/c27-22-20(4-3-5-21(22)26-13-15-29-16-14-26)24-23(28)18-6-8-19(9-7-18)30-17-12-25-10-1-2-11-25/h6-9,20-22,27H,1-5,10-17H2,(H,24,28)/t20-,21-,22-/m1/s1
InChIKeyOOWXEYHXNQRYKL-YPAWHYETSA-N
XLogP1.51
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145734
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-[4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 74505316
N-benzyl-4-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]azepane-1-carboxamide
CID 74505305
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11373344
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 45360401
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
N-[(3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyazepan-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 163125745
N-[(1S,2R)-2-[[(S)-cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11236378
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 110154641) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is OOWXEYHXNQRYKL-YPAWHYETSA-N. The full InChI is InChI=1S/C23H35N3O4/c27-22-20(4-3-5-21(22)26-13-15-29-16-14-26)24-23(28)18-6-8-19(9-7-18)30-17-12-25-10-1-2-11-25/h6-9,20-22,27H,1-5,10-17H2,(H,24,28)/t20-,21-,22-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 417.55 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).