(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

C22H24N2O4 — CID 21177970

IUPAC(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C22H24N2O4/c1-4-27-17-10-6-15(7-11-17)23-21(25)19-14(3)20(19)22(26)24-16-8-12-18(13-9-16)28-5-2/h6-13,19-20H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t19-,20?/m1/s1
InChIKeyBHNLUNHGDVNJGF-FIWHBWSRSA-N
MW380.44 g/mol
LogP3.86
Rot. Bonds8

About (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 21177970) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID21177970
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C22H24N2O4/c1-4-27-17-10-6-15(7-11-17)23-21(25)19-14(3)20(19)22(26)24-16-8-12-18(13-9-16)28-5-2/h6-13,19-20H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t19-,20?/m1/s1
InChIKeyBHNLUNHGDVNJGF-FIWHBWSRSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
16-[(4-ethoxyphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2838145
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2301558
N-(4-ethoxyphenyl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 122582378
(1R,2R,3R,4R)-1,4,5,6,7,7-hexachloro-3-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98083700

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (CID 21177970) is (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1C(C(=O)Nc2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is BHNLUNHGDVNJGF-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-27-17-10-6-15(7-11-17)23-21(25)19-14(3)20(19)22(26)24-16-8-12-18(13-9-16)28-5-2/h6-13,19-20H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t19-,20?/m1/s1.
What are the key properties of (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 21177970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).