N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane

C17H27NO — CID 143185274

IUPACN-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
SMILESC/C=C(/C)c1ccc(NC(=O)CCCC)cc1.CC
InChIInChI=1S/C15H21NO.C2H6/c1-4-6-7-15(17)16-14-10-8-13(9-11-14)12(3)5-2;1-2/h5,8-11H,4,6-7H2,1-3H3,(H,16,17);1-2H3/b12-5-;
InChIKeyIBSUNQDHMXCMPK-UHPXVVQNSA-N
MW261.41 g/mol
LogP5.26
Rot. Bonds5

About N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane

N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane (PubChem CID 143185274) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane.

Molecular Properties

Compound NameN-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
PubChem CID143185274
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
SMILESC/C=C(/C)c1ccc(NC(=O)CCCC)cc1.CC
InChIInChI=1S/C15H21NO.C2H6/c1-4-6-7-15(17)16-14-10-8-13(9-11-14)12(3)5-2;1-2/h5,8-11H,4,6-7H2,1-3H3,(H,16,17);1-2H3/b12-5-;
InChIKeyIBSUNQDHMXCMPK-UHPXVVQNSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane?
The IUPAC name of N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane (CID 143185274) is N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane.
What is the SMILES notation for N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane?
The canonical SMILES for N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane is C/C=C(/C)c1ccc(NC(=O)CCCC)cc1.CC.
What is the InChIKey of N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane?
The InChIKey is IBSUNQDHMXCMPK-UHPXVVQNSA-N. The full InChI is InChI=1S/C15H21NO.C2H6/c1-4-6-7-15(17)16-14-10-8-13(9-11-14)12(3)5-2;1-2/h5,8-11H,4,6-7H2,1-3H3,(H,16,17);1-2H3/b12-5-;.
What are the key properties of N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane?
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane has a molecular weight of 261.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane is sourced from PubChem (CID 143185274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).