N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide

C15H20N2O — CID 170976249

IUPACN-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
SMILESC/C=N/C(C)=C(\C)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C15H20N2O/c1-5-16-12(3)11(2)14-6-8-15(9-7-14)13(4)17-10-18/h5-10,13H,1-4H3,(H,17,18)/b12-11+,16-5+
InChIKeyKIKCHPOOEBDPPA-DBPMKKMDSA-N
MW244.34 g/mol
LogP3.34
Rot. Bonds5

About N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide

N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide (PubChem CID 170976249) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
PubChem CID170976249
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
SMILESC/C=N/C(C)=C(\C)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C15H20N2O/c1-5-16-12(3)11(2)14-6-8-15(9-7-14)13(4)17-10-18/h5-10,13H,1-4H3,(H,17,18)/b12-11+,16-5+
InChIKeyKIKCHPOOEBDPPA-DBPMKKMDSA-N
XLogP3.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
CID 142517155
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CID 176695906
N-[1-(4-tert-butylphenyl)ethyl]formamide
CID 64990834
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide
CID 145190604
N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide
CID 170955685
4-(1-formamidoethyl)benzenesulfonyl chloride
CID 43135256
N-(1-naphthalen-2-ylethyl)formamide
CID 18543124
N-[(1S)-1-[4-(4-methyl-5H-1,2,5-oxathiazol-3-yl)phenyl]ethyl]formamide
CID 166128038
2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
CID 154648381
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
CID 144904685
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The IUPAC name of N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide (CID 170976249) is N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide.
What is the SMILES notation for N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The canonical SMILES for N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide is C/C=N/C(C)=C(\C)c1ccc(C(C)NC=O)cc1.
What is the InChIKey of N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The InChIKey is KIKCHPOOEBDPPA-DBPMKKMDSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-16-12(3)11(2)14-6-8-15(9-7-14)13(4)17-10-18/h5-10,13H,1-4H3,(H,17,18)/b12-11+,16-5+.
What are the key properties of N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide has a molecular weight of 244.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide is sourced from PubChem (CID 170976249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).