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

C18H26N2O — CID 142517155

IUPACN-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
SMILESCCC(C)/C=N/C(C)=C(\C)c1ccc([C@H](C)NC=O)cc1
InChIInChI=1S/C18H26N2O/c1-6-13(2)11-19-15(4)14(3)17-7-9-18(10-8-17)16(5)20-12-21/h7-13,16H,6H2,1-5H3,(H,20,21)/b15-14+,19-11+/t13?,16-/m0/s1
InChIKeyABFRXNDTNUCANY-VONPAMNLSA-N
MW286.42 g/mol
LogP4.36
Rot. Bonds7

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

N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide (PubChem CID 142517155) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
PubChem CID142517155
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
SMILESCCC(C)/C=N/C(C)=C(\C)c1ccc([C@H](C)NC=O)cc1
InChIInChI=1S/C18H26N2O/c1-6-13(2)11-19-15(4)14(3)17-7-9-18(10-8-17)16(5)20-12-21/h7-13,16H,6H2,1-5H3,(H,20,21)/b15-14+,19-11+/t13?,16-/m0/s1
InChIKeyABFRXNDTNUCANY-VONPAMNLSA-N
XLogP4.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.36
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-[1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
CID 170976249
N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide
CID 176695906
N-[1-(4-tert-butylphenyl)ethyl]formamide
CID 64990834
N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide
CID 170955685
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
CID 154648381
N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide
CID 145190604
4-(1-formamidoethyl)benzenesulfonyl chloride
CID 43135256
N-(1-naphthalen-2-ylethyl)formamide
CID 18543124
ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
CID 174521725
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61251261

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The IUPAC name of N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide (CID 142517155) is N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The canonical SMILES for N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide is CCC(C)/C=N/C(C)=C(\C)c1ccc([C@H](C)NC=O)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
The InChIKey is ABFRXNDTNUCANY-VONPAMNLSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-13(2)11-19-15(4)14(3)17-7-9-18(10-8-17)16(5)20-12-21/h7-13,16H,6H2,1-5H3,(H,20,21)/b15-14+,19-11+/t13?,16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide?
N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide has a molecular weight of 286.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide is sourced from PubChem (CID 142517155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).