N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide

C19H29NO4 — CID 90498823

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(O)C2CCCCC2)cc1OCC
InChIInChI=1S/C19H29NO4/c1-3-23-17-11-10-15(12-18(17)24-4-2)19(22)20-13-16(21)14-8-6-5-7-9-14/h10-12,14,16,21H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyQHLCUDBPBGRTCR-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.15
Rot. Bonds8

About N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide (PubChem CID 90498823) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
PubChem CID90498823
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(O)C2CCCCC2)cc1OCC
InChIInChI=1S/C19H29NO4/c1-3-23-17-11-10-15(12-18(17)24-4-2)19(22)20-13-16(21)14-8-6-5-7-9-14/h10-12,14,16,21H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyQHLCUDBPBGRTCR-UHFFFAOYSA-N
XLogP3.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide (CID 90498823) is N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(O)C2CCCCC2)cc1OCC.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide?
The InChIKey is QHLCUDBPBGRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-3-23-17-11-10-15(12-18(17)24-4-2)19(22)20-13-16(21)14-8-6-5-7-9-14/h10-12,14,16,21H,3-9,13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide has a molecular weight of 335.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 90498823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).