1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide

C20H22N2O3 — CID 108970349

IUPAC1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-14-21-18(23)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyXKJLZUXXPDHGLY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.72
Rot. Bonds7

About 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide

1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (PubChem CID 108970349) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
PubChem CID108970349
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-14-21-18(23)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyXKJLZUXXPDHGLY-UHFFFAOYSA-N
XLogP3.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970739
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
6-N-(4-phenoxyphenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093578
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (CID 108970349) is 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is CCCNC(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The InChIKey is XKJLZUXXPDHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-14-21-18(23)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).