N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide

C19H30N2O4 — CID 90755079

IUPACN-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(OC)C2(O)CCNCC2)cc1
InChIInChI=1S/C19H30N2O4/c1-4-5-14-25-16-8-6-15(7-9-16)21-17(22)18(2,24-3)19(23)10-12-20-13-11-19/h6-9,20,23H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeySVTPBXXVVYPUII-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.32
Rot. Bonds8

About N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide

N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide (PubChem CID 90755079) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide
PubChem CID90755079
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(OC)C2(O)CCNCC2)cc1
InChIInChI=1S/C19H30N2O4/c1-4-5-14-25-16-8-6-15(7-9-16)21-17(22)18(2,24-3)19(23)10-12-20-13-11-19/h6-9,20,23H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeySVTPBXXVVYPUII-UHFFFAOYSA-N
XLogP2.32
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide (CID 90755079) is N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide is CCCCOc1ccc(NC(=O)C(C)(OC)C2(O)CCNCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide?
The InChIKey is SVTPBXXVVYPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-5-14-25-16-8-6-15(7-9-16)21-17(22)18(2,24-3)19(23)10-12-20-13-11-19/h6-9,20,23H,4-5,10-14H2,1-3H3,(H,21,22).
What are the key properties of N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide?
N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide has a molecular weight of 350.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide is sourced from PubChem (CID 90755079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).