N-dodecyl-2-methylprop-2-enamide;styrene

C24H39NO — CID 174861897

IUPACN-dodecyl-2-methylprop-2-enamide;styrene
SMILESC=C(C)C(=O)NCCCCCCCCCCCC.C=Cc1ccccc1
InChIInChI=1S/C16H31NO.C8H8/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(18)15(2)3;1-2-8-6-4-3-5-7-8/h2,4-14H2,1,3H3,(H,17,18);2-7H,1H2
InChIKeyZZOHPHAVDJSSLB-UHFFFAOYSA-N
MW357.58 g/mol
LogP6.93
Rot. Bonds13

About N-dodecyl-2-methylprop-2-enamide;styrene

N-dodecyl-2-methylprop-2-enamide;styrene (PubChem CID 174861897) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is N-dodecyl-2-methylprop-2-enamide;styrene.

Molecular Properties

Compound NameN-dodecyl-2-methylprop-2-enamide;styrene
PubChem CID174861897
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC NameN-dodecyl-2-methylprop-2-enamide;styrene
SMILESC=C(C)C(=O)NCCCCCCCCCCCC.C=Cc1ccccc1
InChIInChI=1S/C16H31NO.C8H8/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(18)15(2)3;1-2-8-6-4-3-5-7-8/h2,4-14H2,1,3H3,(H,17,18);2-7H,1H2
InChIKeyZZOHPHAVDJSSLB-UHFFFAOYSA-N
XLogP6.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 56.93
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-icosyl-2-methylprop-2-enamide
CID 22336363
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
N-pentylpentan-1-amine;styrene
CID 69462371
hexadecyl-dimethyl-[5-(2-methylprop-2-enoylamino)-2-phenylpentan-2-yl]azanium
CID 88716465
2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 70576407
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
butane;N-decyl-2-methylprop-2-enamide;N-decylprop-2-enamide;N-dodecyl-2-methylprop-2-enamide;N-dodecylprop-2-enamide;ethane;methane;2-methyl-N-nonylprop-2-enamide;2-methyl-N-octylprop-2-enamide;2-methyl-N-undecylprop-2-enamide;N-nonylprop-2-enamide;N-octylprop-2-enamide;propane;N-undecylprop-2-enamide
CID 159543173
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
2-methylidenehexanoic acid;2-methylidenepentanedioic acid;styrene
CID 89370738

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-methylprop-2-enamide;styrene?
The IUPAC name of N-dodecyl-2-methylprop-2-enamide;styrene (CID 174861897) is N-dodecyl-2-methylprop-2-enamide;styrene.
What is the SMILES notation for N-dodecyl-2-methylprop-2-enamide;styrene?
The canonical SMILES for N-dodecyl-2-methylprop-2-enamide;styrene is C=C(C)C(=O)NCCCCCCCCCCCC.C=Cc1ccccc1.
What is the InChIKey of N-dodecyl-2-methylprop-2-enamide;styrene?
The InChIKey is ZZOHPHAVDJSSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.C8H8/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(18)15(2)3;1-2-8-6-4-3-5-7-8/h2,4-14H2,1,3H3,(H,17,18);2-7H,1H2.
What are the key properties of N-dodecyl-2-methylprop-2-enamide;styrene?
N-dodecyl-2-methylprop-2-enamide;styrene has a molecular weight of 357.58 g/mol, XLogP of 6.93, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-methylprop-2-enamide;styrene is sourced from PubChem (CID 174861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).