N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

C21H25N3O — CID 3759545

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-3-24(4-2)18-12-10-16(11-13-18)15-22-23-21(25)20-14-19(20)17-8-6-5-7-9-17/h5-13,15,19-20H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyAJPHUILQDVMGJB-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.79
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 3759545) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID3759545
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-3-24(4-2)18-12-10-16(11-13-18)15-22-23-21(25)20-14-19(20)17-8-6-5-7-9-17/h5-13,15,19-20H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyAJPHUILQDVMGJB-UHFFFAOYSA-N
XLogP3.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.79
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

cis-(1S,2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129439856
trans-(1S,2S)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 1223205
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
cis-(1R,2S)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6944937
N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6736120
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 3759545) is N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is CCN(CC)c1ccc(C=NNC(=O)C2CC2c2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AJPHUILQDVMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-24(4-2)18-12-10-16(11-13-18)15-22-23-21(25)20-14-19(20)17-8-6-5-7-9-17/h5-13,15,19-20H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).