N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid

C17H24N2O8 — CID 161089013

IUPACN-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid
SMILESCOc1cc(C=CC=CC(=O)NCCCO)cc(OC)c1OC.O=[N+]([O-])O
InChIInChI=1S/C17H23NO5.HNO3/c1-21-14-11-13(12-15(22-2)17(14)23-3)7-4-5-8-16(20)18-9-6-10-19;2-1(3)4/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20);(H,2,3,4)
InChIKeyUGXNOWWXROFTIU-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.43
Rot. Bonds9

About N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid

N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid (PubChem CID 161089013) has the molecular formula C17H24N2O8 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid
PubChem CID161089013
Molecular FormulaC17H24N2O8
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid
SMILESCOc1cc(C=CC=CC(=O)NCCCO)cc(OC)c1OC.O=[N+]([O-])O
InChIInChI=1S/C17H23NO5.HNO3/c1-21-14-11-13(12-15(22-2)17(14)23-3)7-4-5-8-16(20)18-9-6-10-19;2-1(3)4/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20);(H,2,3,4)
InChIKeyUGXNOWWXROFTIU-UHFFFAOYSA-N
XLogP1.43
TPSA140.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2,6-bis[[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]hexanoate
CID 20691749
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
N-(4-acetamidobutyl)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 57154622
(E)-N-but-3-ynyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90537887
(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
methyl 2,5-bis[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]pentanoate
CID 15957875
5-(3,4,5-trimethoxyphenyl)-N-[2-[5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoylamino]cyclohexyl]penta-2,4-dienamide
CID 73448077
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308852
3,5-bis[[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]benzoic acid
CID 18518185
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid?
The IUPAC name of N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid (CID 161089013) is N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid.
What is the SMILES notation for N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid?
The canonical SMILES for N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid is COc1cc(C=CC=CC(=O)NCCCO)cc(OC)c1OC.O=[N+]([O-])O.
What is the InChIKey of N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid?
The InChIKey is UGXNOWWXROFTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5.HNO3/c1-21-14-11-13(12-15(22-2)17(14)23-3)7-4-5-8-16(20)18-9-6-10-19;2-1(3)4/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20);(H,2,3,4).
What are the key properties of N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid?
N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid has a molecular weight of 384.39 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienamide;nitric acid is sourced from PubChem (CID 161089013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).