2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide

C17H26N2O4 — CID 118783095

IUPAC2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
SMILESCOc1ccc(OCCCN)c(C(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C17H26N2O4/c1-22-12-7-8-16(23-10-4-9-18)13(11-12)17(21)19-14-5-2-3-6-15(14)20/h7-8,11,14-15,20H,2-6,9-10,18H2,1H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyDQTVLFVRIJFAMA-HUUCEWRRSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds7

About 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide

2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide (PubChem CID 118783095) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
PubChem CID118783095
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
SMILESCOc1ccc(OCCCN)c(C(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C17H26N2O4/c1-22-12-7-8-16(23-10-4-9-18)13(11-12)17(21)19-14-5-2-3-6-15(14)20/h7-8,11,14-15,20H,2-6,9-10,18H2,1H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyDQTVLFVRIJFAMA-HUUCEWRRSA-N
XLogP1.46
TPSA93.81 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 ≤ 51.46
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

2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118771394
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide?
The IUPAC name of 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide (CID 118783095) is 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide is COc1ccc(OCCCN)c(C(=O)N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide?
The InChIKey is DQTVLFVRIJFAMA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-12-7-8-16(23-10-4-9-18)13(11-12)17(21)19-14-5-2-3-6-15(14)20/h7-8,11,14-15,20H,2-6,9-10,18H2,1H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide?
2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide is sourced from PubChem (CID 118783095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).