3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide

C16H23NO — CID 59463422

IUPAC3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
SMILESCC(C)/C=C/c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-12(2)5-6-14-7-9-15(10-8-14)17-16(18)11-13(3)4/h5-10,12-13H,11H2,1-4H3,(H,17,18)/b6-5+
InChIKeyZDJMQHKNWNKODS-AATRIKPKSA-N
MW245.37 g/mol
LogP4.34
Rot. Bonds5

About 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide

3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide (PubChem CID 59463422) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
PubChem CID59463422
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
SMILESCC(C)/C=C/c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-12(2)5-6-14-7-9-15(10-8-14)17-16(18)11-13(3)4/h5-10,12-13H,11H2,1-4H3,(H,17,18)/b6-5+
InChIKeyZDJMQHKNWNKODS-AATRIKPKSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-methyl-4-[(E)-3-[4-(3-methylbutanoylamino)anilino]-3-oxoprop-1-enyl]benzamide
CID 46556757
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953160
N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
CID 142170970
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
(E)-3-[4-[3-(ethylamino)butanoylamino]phenyl]prop-2-enoic acid
CID 115342286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide (CID 59463422) is 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide is CC(C)/C=C/c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide?
The InChIKey is ZDJMQHKNWNKODS-AATRIKPKSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)5-6-14-7-9-15(10-8-14)17-16(18)11-13(3)4/h5-10,12-13H,11H2,1-4H3,(H,17,18)/b6-5+.
What are the key properties of 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide?
3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide has a molecular weight of 245.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide is sourced from PubChem (CID 59463422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).