ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide

C18H31NO2 — CID 142843916

IUPACethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
SMILESCC.CCCN(CCC)C(=O)c1cc(CC)cc(OC)c1
InChIInChI=1S/C16H25NO2.C2H6/c1-5-8-17(9-6-2)16(18)14-10-13(7-3)11-15(12-14)19-4;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyGMJPXYVHFQUTKZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.55
Rot. Bonds7

About ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide

ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide (PubChem CID 142843916) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Nameethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
PubChem CID142843916
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nameethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
SMILESCC.CCCN(CCC)C(=O)c1cc(CC)cc(OC)c1
InChIInChI=1S/C16H25NO2.C2H6/c1-5-8-17(9-6-2)16(18)14-10-13(7-3)11-15(12-14)19-4;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyGMJPXYVHFQUTKZ-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
3-methoxy-N,N-dipropylbenzamide
CID 669439
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
6-ethyl-N,N-dipropylnaphthalene-2-carboxamide
CID 153338338
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
CID 21086103
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide?
The IUPAC name of ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide (CID 142843916) is ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide is CC.CCCN(CCC)C(=O)c1cc(CC)cc(OC)c1.
What is the InChIKey of ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide?
The InChIKey is GMJPXYVHFQUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C2H6/c1-5-8-17(9-6-2)16(18)14-10-13(7-3)11-15(12-14)19-4;1-2/h10-12H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide?
ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide has a molecular weight of 293.45 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 142843916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).