4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide

C19H29NO — CID 170798906

IUPAC4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
SMILESCC(C)c1cc(C(C)C)c(C=CCC(N)=O)c(C(C)C)c1
InChIInChI=1S/C19H29NO/c1-12(2)15-10-17(13(3)4)16(8-7-9-19(20)21)18(11-15)14(5)6/h7-8,10-14H,9H2,1-6H3,(H2,20,21)
InChIKeySUTAPJVPQKEDTC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.95
Rot. Bonds6

About 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide

4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide (PubChem CID 170798906) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
PubChem CID170798906
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
SMILESCC(C)c1cc(C(C)C)c(C=CCC(N)=O)c(C(C)C)c1
InChIInChI=1S/C19H29NO/c1-12(2)15-10-17(13(3)4)16(8-7-9-19(20)21)18(11-15)14(5)6/h7-8,10-14H,9H2,1-6H3,(H2,20,21)
InChIKeySUTAPJVPQKEDTC-UHFFFAOYSA-N
XLogP4.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
4-[2,4,6-tri(propan-2-yl)phenyl]but-3-ene-1-thiol
CID 170479325
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene
CID 159400113
butyl 3,7-dimethyl-9-[2,4,6-tri(propan-2-yl)phenyl]nona-2,4,6,8-tetraenoate
CID 54343743
9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
CID 169470557
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
4-(3-propan-2-ylsulfonylphenyl)but-3-enamide
CID 170798733
3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
CID 174971190
2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
CID 171869191
2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene
CID 91017213

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide?
The IUPAC name of 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide (CID 170798906) is 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide?
The canonical SMILES for 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide is CC(C)c1cc(C(C)C)c(C=CCC(N)=O)c(C(C)C)c1.
What is the InChIKey of 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide?
The InChIKey is SUTAPJVPQKEDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-12(2)15-10-17(13(3)4)16(8-7-9-19(20)21)18(11-15)14(5)6/h7-8,10-14H,9H2,1-6H3,(H2,20,21).
What are the key properties of 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide?
4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide is sourced from PubChem (CID 170798906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).