N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide

C17H26N2O4 — CID 110145684

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
SMILESCNCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1
InChIInChI=1S/C17H26N2O4/c1-18-9-10-23-13-6-3-5-12(11-13)17(21)19-14-7-4-8-15(22-2)16(14)20/h3,5-6,11,14-16,18,20H,4,7-10H2,1-2H3,(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyWUQBCFIXZGJZHC-BZUAXINKSA-N
MW322.41 g/mol
LogP0.94
Rot. Bonds7

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide (PubChem CID 110145684) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
PubChem CID110145684
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
SMILESCNCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1
InChIInChI=1S/C17H26N2O4/c1-18-9-10-23-13-6-3-5-12(11-13)17(21)19-14-7-4-8-15(22-2)16(14)20/h3,5-6,11,14-16,18,20H,4,7-10H2,1-2H3,(H,19,21)/t14-,15-,16-/m1/s1
InChIKeyWUQBCFIXZGJZHC-BZUAXINKSA-N
XLogP0.94
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145734
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110145638
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
N-cyclohexyl-3-propoxybenzamide
CID 4960053
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
3-[2-[(2-hydroxycyclohexyl)amino]ethoxy]benzoic acid
CID 103249841

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide (CID 110145684) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide is CNCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide?
The InChIKey is WUQBCFIXZGJZHC-BZUAXINKSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-18-9-10-23-13-6-3-5-12(11-13)17(21)19-14-7-4-8-15(22-2)16(14)20/h3,5-6,11,14-16,18,20H,4,7-10H2,1-2H3,(H,19,21)/t14-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide has a molecular weight of 322.41 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide is sourced from PubChem (CID 110145684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).