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

C26H30N4O4 — CID 1120987

IUPACcis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2ccccc2N2CCOCC2)[C@@H]1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C26H30N4O4/c1-18-23(25(31)27-19-6-2-4-8-21(19)29-10-14-33-15-11-29)24(18)26(32)28-20-7-3-5-9-22(20)30-12-16-34-17-13-30/h2-9,23-24H,1,10-17H2,(H,27,31)(H,28,32)/t23-,24+
InChIKeyYTDQRPUWUIFCHJ-PSWAGMNNSA-N
MW462.55 g/mol
LogP2.74
Rot. Bonds6

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

cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 1120987) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID1120987
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Namecis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2ccccc2N2CCOCC2)[C@@H]1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C26H30N4O4/c1-18-23(25(31)27-19-6-2-4-8-21(19)29-10-14-33-15-11-29)24(18)26(32)28-20-7-3-5-9-22(20)30-12-16-34-17-13-30/h2-9,23-24H,1,10-17H2,(H,27,31)(H,28,32)/t23-,24+
InChIKeyYTDQRPUWUIFCHJ-PSWAGMNNSA-N
XLogP2.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 1120987) is cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is C=C1[C@H](C(=O)Nc2ccccc2N2CCOCC2)[C@@H]1C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is YTDQRPUWUIFCHJ-PSWAGMNNSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18-23(25(31)27-19-6-2-4-8-21(19)29-10-14-33-15-11-29)24(18)26(32)28-20-7-3-5-9-22(20)30-12-16-34-17-13-30/h2-9,23-24H,1,10-17H2,(H,27,31)(H,28,32)/t23-,24+.
What are the key properties of cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 1120987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).