3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide

C16H23NO3 — CID 170120450

IUPAC3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide
SMILESCCCCOc1ccc(C2(C(=O)N(C)C)COC2)cc1
InChIInChI=1S/C16H23NO3/c1-4-5-10-20-14-8-6-13(7-9-14)16(11-19-12-16)15(18)17(2)3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyCPVWLUQPQNVLTG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds6

About 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide

3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide (PubChem CID 170120450) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide
PubChem CID170120450
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide
SMILESCCCCOc1ccc(C2(C(=O)N(C)C)COC2)cc1
InChIInChI=1S/C16H23NO3/c1-4-5-10-20-14-8-6-13(7-9-14)16(11-19-12-16)15(18)17(2)3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyCPVWLUQPQNVLTG-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-[4-(3-methylbutoxy)phenyl]oxetan-3-yl]heptan-1-one
CID 168997700
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
1,4-dipentoxybenzene
CID 18314717
4-butoxy-N,N-dimethylbenzenecarbothioamide
CID 175413654
[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 58428365
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-cyano-1-(4-heptoxyphenyl)-4-heptylcyclohexane-1-carboxylic acid
CID 57307743
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
[4-[(4-heptoxyphenyl)diazenyl]phenyl] 6-[(3-methyloxetan-3-yl)methoxy]hexanoate
CID 101089381
[4-[(4-hexoxyphenyl)diazenyl]phenyl] 6-[(3-methyloxetan-3-yl)methoxy]hexanoate
CID 101089380

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide?
The IUPAC name of 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide (CID 170120450) is 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide.
What is the SMILES notation for 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide?
The canonical SMILES for 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide is CCCCOc1ccc(C2(C(=O)N(C)C)COC2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide?
The InChIKey is CPVWLUQPQNVLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-10-20-14-8-6-13(7-9-14)16(11-19-12-16)15(18)17(2)3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide?
3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-N,N-dimethyloxetane-3-carboxamide is sourced from PubChem (CID 170120450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).