4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide

C19H30N2O3 — CID 120601980

IUPAC4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1OCC
InChIInChI=1S/C19H30N2O3/c1-4-6-11-24-17-8-7-15(13-18(17)23-5-2)19(22)21-16-9-10-20-14(3)12-16/h7-8,13-14,16,20H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyNPDLNFQVCNCNFO-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.13
Rot. Bonds8

About 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide

4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120601980) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120601980
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1OCC
InChIInChI=1S/C19H30N2O3/c1-4-6-11-24-17-8-7-15(13-18(17)23-5-2)19(22)21-16-9-10-20-14(3)12-16/h7-8,13-14,16,20H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyNPDLNFQVCNCNFO-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide (CID 120601980) is 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide is CCCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is NPDLNFQVCNCNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-6-11-24-17-8-7-15(13-18(17)23-5-2)19(22)21-16-9-10-20-14(3)12-16/h7-8,13-14,16,20H,4-6,9-12H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide?
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 334.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120601980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).