N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

C25H32N2O4 — CID 108510735

IUPACN-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(CC)c2ccc3c(c2)CCCC3)cc1OCC
InChIInChI=1S/C25H32N2O4/c1-4-21(19-12-11-17-9-7-8-10-18(17)15-19)27-25(29)24(28)26-20-13-14-22(30-5-2)23(16-20)31-6-3/h11-16,21H,4-10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyMCZRREPTMCZTNN-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.57
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (PubChem CID 108510735) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
PubChem CID108510735
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(CC)c2ccc3c(c2)CCCC3)cc1OCC
InChIInChI=1S/C25H32N2O4/c1-4-21(19-12-11-17-9-7-8-10-18(17)15-19)27-25(29)24(28)26-20-13-14-22(30-5-2)23(16-20)31-6-3/h11-16,21H,4-10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyMCZRREPTMCZTNN-UHFFFAOYSA-N
XLogP4.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108501153
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848165
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510709
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N-(2,4-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510706
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
[2-(3,4-diethoxyanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715006
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848911
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (CID 108510735) is N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is CCOc1ccc(NC(=O)C(=O)NC(CC)c2ccc3c(c2)CCCC3)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The InChIKey is MCZRREPTMCZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-21(19-12-11-17-9-7-8-10-18(17)15-19)27-25(29)24(28)26-20-13-14-22(30-5-2)23(16-20)31-6-3/h11-16,21H,4-10H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide has a molecular weight of 424.54 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is sourced from PubChem (CID 108510735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).