N-(4-dodecylphenyl)-2-methylprop-2-enamide

C22H35NO — CID 58819798

IUPACN-(4-dodecylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(CCCCCCCCCCCC)cc1
InChIInChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)23-22(24)19(2)3/h15-18H,2,4-14H2,1,3H3,(H,23,24)
InChIKeyKZBWRLUSDDXDCG-UHFFFAOYSA-N
MW329.53 g/mol
LogP6.66
Rot. Bonds13

About N-(4-dodecylphenyl)-2-methylprop-2-enamide

N-(4-dodecylphenyl)-2-methylprop-2-enamide (PubChem CID 58819798) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is N-(4-dodecylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-dodecylphenyl)-2-methylprop-2-enamide
PubChem CID58819798
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC NameN-(4-dodecylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(CCCCCCCCCCCC)cc1
InChIInChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)23-22(24)19(2)3/h15-18H,2,4-14H2,1,3H3,(H,23,24)
InChIKeyKZBWRLUSDDXDCG-UHFFFAOYSA-N
XLogP6.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(4-dodecylphenyl)oxamide
CID 118096540
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(4-heptylphenyl)heptanamide
CID 101077737
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-N-[(4-pentylphenyl)methyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 138455661
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-butyl-4-nonylbenzene
CID 59545302
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
N-(4-tetradecylphenyl)undec-2-enamide
CID 167433428
4-chloro-N-(4-heptylphenyl)-3-oxobutanamide
CID 86085625

Frequently Asked Questions

What is the IUPAC name of N-(4-dodecylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-dodecylphenyl)-2-methylprop-2-enamide (CID 58819798) is N-(4-dodecylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-dodecylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-dodecylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(CCCCCCCCCCCC)cc1.
What is the InChIKey of N-(4-dodecylphenyl)-2-methylprop-2-enamide?
The InChIKey is KZBWRLUSDDXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)23-22(24)19(2)3/h15-18H,2,4-14H2,1,3H3,(H,23,24).
What are the key properties of N-(4-dodecylphenyl)-2-methylprop-2-enamide?
N-(4-dodecylphenyl)-2-methylprop-2-enamide has a molecular weight of 329.53 g/mol, XLogP of 6.66, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dodecylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 58819798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).