1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one

C17H25NO — CID 153381275

IUPAC1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one
SMILESCC/C=C(/C)N(CC(=O)CCC)Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-4-9-15(3)18(14-17(19)10-5-2)13-16-11-7-6-8-12-16/h6-9,11-12H,4-5,10,13-14H2,1-3H3/b15-9-
InChIKeyMFTHTUWOHSMLOV-DHDCSXOGSA-N
MW259.39 g/mol
LogP4.17
Rot. Bonds8

About 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one

1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one (PubChem CID 153381275) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one.

Molecular Properties

Compound Name1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one
PubChem CID153381275
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one
SMILESCC/C=C(/C)N(CC(=O)CCC)Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-4-9-15(3)18(14-17(19)10-5-2)13-16-11-7-6-8-12-16/h6-9,11-12H,4-5,10,13-14H2,1-3H3/b15-9-
InChIKeyMFTHTUWOHSMLOV-DHDCSXOGSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
tert-butyl N-benzyl-N-(6-methyl-2-oxohept-5-enyl)carbamate
CID 165468171
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
tert-butyl N-benzyl-N-(2-oxohex-5-enyl)carbamate
CID 165471210
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N-dibenzylbut-2-enamide
CID 71340814
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
N-benzyl-N-phenacylacetamide
CID 10587901
N-benzyl-N-[(E)-but-1-enyl]acetamide
CID 13494620

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one?
The IUPAC name of 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one (CID 153381275) is 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one.
What is the SMILES notation for 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one?
The canonical SMILES for 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one is CC/C=C(/C)N(CC(=O)CCC)Cc1ccccc1.
What is the InChIKey of 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one?
The InChIKey is MFTHTUWOHSMLOV-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-9-15(3)18(14-17(19)10-5-2)13-16-11-7-6-8-12-16/h6-9,11-12H,4-5,10,13-14H2,1-3H3/b15-9-.
What are the key properties of 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one?
1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one has a molecular weight of 259.39 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(Z)-pent-2-en-2-yl]amino]pentan-2-one is sourced from PubChem (CID 153381275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).