N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H25NO3 — CID 78800219

IUPACN-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H25NO3/c1-4-19(12-14(2)3)18(20)15-7-9-16(10-8-15)22-13-17-6-5-11-21-17/h7-10,17H,2,4-6,11-13H2,1,3H3
InChIKeyZVXOTHMLYZQHEQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.28
Rot. Bonds7

About N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide

N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 78800219) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID78800219
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H25NO3/c1-4-19(12-14(2)3)18(20)15-7-9-16(10-8-15)22-13-17-6-5-11-21-17/h7-10,17H,2,4-6,11-13H2,1,3H3
InChIKeyZVXOTHMLYZQHEQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
CID 112794067
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044789
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 78800219) is N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide is C=C(C)CN(CC)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is ZVXOTHMLYZQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-19(12-14(2)3)18(20)15-7-9-16(10-8-15)22-13-17-6-5-11-21-17/h7-10,17H,2,4-6,11-13H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 303.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 78800219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).