(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide

C21H33NO — CID 6163313

IUPAC(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H33NO/c1-6-8-16-22(17-9-7-2)20(23)15-12-18-10-13-19(14-11-18)21(3,4)5/h10-15H,6-9,16-17H2,1-5H3/b15-12+
InChIKeyKMQMBJYVGGIFDX-NTCAYCPXSA-N
MW315.50 g/mol
LogP5.43
Rot. Bonds8

About (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide

(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 6163313) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
PubChem CID6163313
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H33NO/c1-6-8-16-22(17-9-7-2)20(23)15-12-18-10-13-19(14-11-18)21(3,4)5/h10-15H,6-9,16-17H2,1-5H3/b15-12+
InChIKeyKMQMBJYVGGIFDX-NTCAYCPXSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3616986
(E)-N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 24843615
(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
CID 88923594
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
2-[butyl-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 18962917
(E)-3-[3-(trifluoromethyl)phenyl]-N,N-di(undecyl)prop-2-enamide
CID 5353243
(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
CID 83969210
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
4-(4-tert-butylphenyl)-1-chlorobut-3-en-2-one
CID 77040337
(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
CID 94760106

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide (CID 6163313) is (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide is CCCCN(CCCC)C(=O)/C=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is KMQMBJYVGGIFDX-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H33NO/c1-6-8-16-22(17-9-7-2)20(23)15-12-18-10-13-19(14-11-18)21(3,4)5/h10-15H,6-9,16-17H2,1-5H3/b15-12+.
What are the key properties of (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide?
(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 315.50 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 6163313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).