N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide

C15H21NO4 — CID 79600203

IUPACN-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C15H21NO4/c1-3-16(10-12-5-4-8-20-12)15(18)11-6-7-14(19-2)13(17)9-11/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyNWKWITNFSLLMLX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide

N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 79600203) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID79600203
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C15H21NO4/c1-3-16(10-12-5-4-8-20-12)15(18)11-6-7-14(19-2)13(17)9-11/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyNWKWITNFSLLMLX-UHFFFAOYSA-N
XLogP2.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 118771065
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 79600203) is N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NWKWITNFSLLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-16(10-12-5-4-8-20-12)15(18)11-6-7-14(19-2)13(17)9-11/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 79600203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).