2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide

C21H32N2O5 — CID 48658025

IUPAC2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCCCCOC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1
InChIInChI=1S/C21H32N2O5/c1-5-6-12-28-15(2)20(24)22-17-14-19(27-4)18(26-3)13-16(17)21(25)23-10-8-7-9-11-23/h13-15H,5-12H2,1-4H3,(H,22,24)
InChIKeyHDUZPSQTGXRGHR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.47
Rot. Bonds9

About 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide

2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 48658025) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID48658025
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCCCCOC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1
InChIInChI=1S/C21H32N2O5/c1-5-6-12-28-15(2)20(24)22-17-14-19(27-4)18(26-3)13-16(17)21(25)23-10-8-7-9-11-23/h13-15H,5-12H2,1-4H3,(H,22,24)
InChIKeyHDUZPSQTGXRGHR-UHFFFAOYSA-N
XLogP3.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
1-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 52522274
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide (CID 48658025) is 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide is CCCCOC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1.
What is the InChIKey of 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is HDUZPSQTGXRGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-5-6-12-28-15(2)20(24)22-17-14-19(27-4)18(26-3)13-16(17)21(25)23-10-8-7-9-11-23/h13-15H,5-12H2,1-4H3,(H,22,24).
What are the key properties of 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide?
2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 48658025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).