(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C25H24N2O2 — CID 1378728

IUPAC(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-18(19-13-15-22(29-2)16-14-19)26-27-24(28)23-17-25(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyRYTUOHAHMAGQFN-HSZRJFAPSA-N
MW384.48 g/mol
LogP4.54
Rot. Bonds6

About (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 1378728) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID1378728
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-18(19-13-15-22(29-2)16-14-19)26-27-24(28)23-17-25(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyRYTUOHAHMAGQFN-HSZRJFAPSA-N
XLogP4.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.54
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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Related Compounds

(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
(1R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7241725
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
CID 7452244
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 1378728) is (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is COc1ccc(C(C)=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is RYTUOHAHMAGQFN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(19-13-15-22(29-2)16-14-19)26-27-24(28)23-17-25(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,27,28)/t23-/m1/s1.
What are the key properties of (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 1378728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).