N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide

C17H23NO — CID 71888657

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C17H23NO/c1-4-5-13(3)17(19)18-16(15-10-11-15)14-8-6-12(2)7-9-14/h5-9,15-16H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyQZHKVPBDYZSAJO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide

N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide (PubChem CID 71888657) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
PubChem CID71888657
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C17H23NO/c1-4-5-13(3)17(19)18-16(15-10-11-15)14-8-6-12(2)7-9-14/h5-9,15-16H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyQZHKVPBDYZSAJO-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-hydroxyphenoxy)acetamide
CID 78832040
1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 96534331
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide (CID 71888657) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide?
The InChIKey is QZHKVPBDYZSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-5-13(3)17(19)18-16(15-10-11-15)14-8-6-12(2)7-9-14/h5-9,15-16H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide has a molecular weight of 257.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 71888657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).