4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C21H34N2O3 — CID 134046921

IUPAC4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C21H34N2O3/c1-6-7-14-26-19-9-8-17(15-20(19)25-5)21(24)22(4)18-10-12-23(13-11-18)16(2)3/h8-9,15-16,18H,6-7,10-14H2,1-5H3
InChIKeyWFBPOLUEFLWXSN-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.82
Rot. Bonds8

About 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134046921) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID134046921
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C21H34N2O3/c1-6-7-14-26-19-9-8-17(15-20(19)25-5)21(24)22(4)18-10-12-23(13-11-18)16(2)3/h8-9,15-16,18H,6-7,10-14H2,1-5H3
InChIKeyWFBPOLUEFLWXSN-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
3-bromo-N-cyclohexyl-4-hexoxy-N-methylbenzamide
CID 4959507
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344
4-butoxy-3-methoxybenzamide
CID 47102628

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 134046921) is 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CCCCOc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is WFBPOLUEFLWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-6-7-14-26-19-9-8-17(15-20(19)25-5)21(24)22(4)18-10-12-23(13-11-18)16(2)3/h8-9,15-16,18H,6-7,10-14H2,1-5H3.
What are the key properties of 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 362.51 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).