1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C22H26N2O2 — CID 108981840

IUPAC1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccc(C(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(19-8-6-5-7-9-19)21(26)22(14-15-22)20(25)23-18-12-10-17(11-13-18)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyFMXPYVDSOCTDGR-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.58
Rot. Bonds6

About 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981840) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981840
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccc(C(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(19-8-6-5-7-9-19)21(26)22(14-15-22)20(25)23-18-12-10-17(11-13-18)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyFMXPYVDSOCTDGR-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981853
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975122
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
1-N-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977960
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981840) is 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is CCN(C(=O)C1(C(=O)Nc2ccc(C(C)C)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is FMXPYVDSOCTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(19-8-6-5-7-9-19)21(26)22(14-15-22)20(25)23-18-12-10-17(11-13-18)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,23,25).
What are the key properties of 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).