N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid

C16H29NO3 — CID 158939992

IUPACN-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)NCCCCCCCC(C)C.C=CC(=O)O
InChIInChI=1S/C13H25NO.C3H4O2/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3;1-2-3(4)5/h4,12H,1,5-11H2,2-3H3,(H,14,15);2H,1H2,(H,4,5)
InChIKeyJKCYJGLJRFSWLE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.54
Rot. Bonds10

About N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid

N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid (PubChem CID 158939992) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound NameN-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
PubChem CID158939992
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)NCCCCCCCC(C)C.C=CC(=O)O
InChIInChI=1S/C13H25NO.C3H4O2/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3;1-2-3(4)5/h4,12H,1,5-11H2,2-3H3,(H,14,15);2H,1H2,(H,4,5)
InChIKeyJKCYJGLJRFSWLE-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
8-methylnonan-1-ol;prop-2-enoic acid
CID 175073761
6-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 87770315
N-(7-methyloctyl)but-2-enamide
CID 112727082
carbonic acid;N-hexylprop-2-enamide
CID 22445987
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
N-heptadecylprop-2-enamide
CID 20727742
2,6-bis(prop-2-enoylamino)hexanoic acid
CID 156696069
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159

Frequently Asked Questions

What is the IUPAC name of N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid?
The IUPAC name of N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid (CID 158939992) is N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid?
The canonical SMILES for N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid is C=CC(=O)NCCCCCCCC(C)C.C=CC(=O)O.
What is the InChIKey of N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid?
The InChIKey is JKCYJGLJRFSWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C3H4O2/c1-4-13(15)14-11-9-7-5-6-8-10-12(2)3;1-2-3(4)5/h4,12H,1,5-11H2,2-3H3,(H,14,15);2H,1H2,(H,4,5).
What are the key properties of N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid?
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 158939992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).