N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide

C16H24N2O4 — CID 108505219

IUPACN-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCCOCCCNC(=O)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-3-22-12-4-10-17-15(19)16(20)18-11-9-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBZLZVWOHFMAUEY-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.90
Rot. Bonds9

About N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide

N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108505219) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108505219
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCCOCCCNC(=O)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-3-22-12-4-10-17-15(19)16(20)18-11-9-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBZLZVWOHFMAUEY-UHFFFAOYSA-N
XLogP0.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
(Z)-2-cyano-N-(3-ethoxypropyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108833979
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 101014754
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170975
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42458281
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(Z)-N-(3-butoxypropyl)-2-cyano-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108836950
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide (CID 108505219) is N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide is CCOCCCNC(=O)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is BZLZVWOHFMAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-22-12-4-10-17-15(19)16(20)18-11-9-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide?
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 308.38 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108505219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).