cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

C32H28N2O4 — CID 2318616

IUPACcis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H28N2O4/c1-22-29(31(35)33-25-12-16-27(17-13-25)37-20-23-8-4-2-5-9-23)30(22)32(36)34-26-14-18-28(19-15-26)38-21-24-10-6-3-7-11-24/h2-19,29-30H,1,20-21H2,(H,33,35)(H,34,36)/t29-,30+
InChIKeyRZZPJHJCDHSZFS-RNPORBBMSA-N
MW504.59 g/mol
LogP6.22
Rot. Bonds10

About cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 2318616) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID2318616
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H28N2O4/c1-22-29(31(35)33-25-12-16-27(17-13-25)37-20-23-8-4-2-5-9-23)30(22)32(36)34-26-14-18-28(19-15-26)38-21-24-10-6-3-7-11-24/h2-19,29-30H,1,20-21H2,(H,33,35)(H,34,36)/t29-,30+
InChIKeyRZZPJHJCDHSZFS-RNPORBBMSA-N
XLogP6.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.22
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

N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 113218895
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
CID 21177977
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 2318616) is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is C=C1[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RZZPJHJCDHSZFS-RNPORBBMSA-N. The full InChI is InChI=1S/C32H28N2O4/c1-22-29(31(35)33-25-12-16-27(17-13-25)37-20-23-8-4-2-5-9-23)30(22)32(36)34-26-14-18-28(19-15-26)38-21-24-10-6-3-7-11-24/h2-19,29-30H,1,20-21H2,(H,33,35)(H,34,36)/t29-,30+.
What are the key properties of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 504.59 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 2318616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).