1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

C18H26N2O3 — CID 108980280

IUPAC1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-12-20(13-5-2)17(22)18(10-11-18)16(21)19-14-6-8-15(23-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyTZKUBUBIASNJAX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.06
Rot. Bonds8

About 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (PubChem CID 108980280) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
PubChem CID108980280
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-12-20(13-5-2)17(22)18(10-11-18)16(21)19-14-6-8-15(23-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyTZKUBUBIASNJAX-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (CID 108980280) is 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is CCCN(CCC)C(=O)C1(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The InChIKey is TZKUBUBIASNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-12-20(13-5-2)17(22)18(10-11-18)16(21)19-14-6-8-15(23-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,19,21).
What are the key properties of 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).