(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide

C30H24N2O2 — CID 21177977

IUPAC(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24N2O2/c1-20-27(29(33)31-25-16-12-23(13-17-25)21-8-4-2-5-9-21)28(20)30(34)32-26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,27-28H,1H2,(H,31,33)(H,32,34)/t27-,28?/m1/s1
InChIKeyCRZLCZVPGSGGGD-QXPUDEPPSA-N
MW444.53 g/mol
LogP6.40
Rot. Bonds6

About (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide

(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 21177977) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID21177977
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24N2O2/c1-20-27(29(33)31-25-16-12-23(13-17-25)21-8-4-2-5-9-21)28(20)30(34)32-26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,27-28H,1H2,(H,31,33)(H,32,34)/t27-,28?/m1/s1
InChIKeyCRZLCZVPGSGGGD-QXPUDEPPSA-N
XLogP6.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
N-(4-phenylphenyl)acetamide
CID 19998
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 1120968

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide (CID 21177977) is (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide is C=C1C(C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CRZLCZVPGSGGGD-QXPUDEPPSA-N. The full InChI is InChI=1S/C30H24N2O2/c1-20-27(29(33)31-25-16-12-23(13-17-25)21-8-4-2-5-9-21)28(20)30(34)32-26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,27-28H,1H2,(H,31,33)(H,32,34)/t27-,28?/m1/s1.
What are the key properties of (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide?
(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 444.53 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 21177977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).