3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

C19H25NO — CID 3616986

IUPAC3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-6-14-20(15-7-2)18(21)13-10-16-8-11-17(12-9-16)19(3,4)5/h6-13H,1-2,14-15H2,3-5H3
InChIKeyKGQPLGAFFHCENM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 3616986) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID3616986
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO/c1-6-14-20(15-7-2)18(21)13-10-16-8-11-17(12-9-16)19(3,4)5/h6-13H,1-2,14-15H2,3-5H3
InChIKeyKGQPLGAFFHCENM-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
CID 6163313
(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 31245132
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970
2-[3-(4-ethylphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79262075
ethyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-prop-2-enylamino]acetate
CID 115538904
2-methyl-3-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]propanoic acid
CID 82325981
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]acetate
CID 78978456
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
4-(4-tert-butylphenyl)-1-chlorobut-3-en-2-one
CID 77040337
N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516808
(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoic acid
CID 116991834
2-[3-(3,4-dichlorophenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263049

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 3616986) is 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)C=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is KGQPLGAFFHCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-6-14-20(15-7-2)18(21)13-10-16-8-11-17(12-9-16)19(3,4)5/h6-13H,1-2,14-15H2,3-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 283.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 3616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).