N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C29H32N2O2 — CID 46501006

IUPACN-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCC/C(=N/NC(=O)C1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C29H32N2O2/c1-5-8-27(22-13-15-25(33-4)16-14-22)30-31-28(32)26-19-29(26,23-11-6-9-20(2)17-23)24-12-7-10-21(3)18-24/h6-7,9-18,26H,5,8,19H2,1-4H3,(H,31,32)/b30-27-
InChIKeyYJECGVVTNZDHAL-IKPAITLHSA-N
MW440.59 g/mol
LogP5.94
Rot. Bonds8

About N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 46501006) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID46501006
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCC/C(=N/NC(=O)C1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C29H32N2O2/c1-5-8-27(22-13-15-25(33-4)16-14-22)30-31-28(32)26-19-29(26,23-11-6-9-20(2)17-23)24-12-7-10-21(3)18-24/h6-7,9-18,26H,5,8,19H2,1-4H3,(H,31,32)/b30-27-
InChIKeyYJECGVVTNZDHAL-IKPAITLHSA-N
XLogP5.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 46501006) is N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is CCC/C(=N/NC(=O)C1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is YJECGVVTNZDHAL-IKPAITLHSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-5-8-27(22-13-15-25(33-4)16-14-22)30-31-28(32)26-19-29(26,23-11-6-9-20(2)17-23)24-12-7-10-21(3)18-24/h6-7,9-18,26H,5,8,19H2,1-4H3,(H,31,32)/b30-27-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)butylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 46501006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).