N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide

C20H32N2O3 — CID 176930608

IUPACN-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCC(C)CCOc1ccc(CN2CC(C(=O)N(C)CCCO)C2)cc1
InChIInChI=1S/C20H32N2O3/c1-16(2)9-12-25-19-7-5-17(6-8-19)13-22-14-18(15-22)20(24)21(3)10-4-11-23/h5-8,16,18,23H,4,9-15H2,1-3H3
InChIKeySAPGTGISBNLEBA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.38
Rot. Bonds10

About N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide

N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176930608) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
PubChem CID176930608
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCC(C)CCOc1ccc(CN2CC(C(=O)N(C)CCCO)C2)cc1
InChIInChI=1S/C20H32N2O3/c1-16(2)9-12-25-19-7-5-17(6-8-19)13-22-14-18(15-22)20(24)21(3)10-4-11-23/h5-8,16,18,23H,4,9-15H2,1-3H3
InChIKeySAPGTGISBNLEBA-UHFFFAOYSA-N
XLogP2.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 176930616
N-(2-hydroxyethyl)-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930169
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methyl-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930845
1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930132
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
1-[4-[(3S,4S)-4-hydroxy-1-[[4-(3-hydroxypropoxy)phenyl]methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129453387
1-[[4-(3-methylbutoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036587
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-[[4-(5,5,5-trifluoropentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176929830
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930820

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide (CID 176930608) is N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide is CC(C)CCOc1ccc(CN2CC(C(=O)N(C)CCCO)C2)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is SAPGTGISBNLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16(2)9-12-25-19-7-5-17(6-8-19)13-22-14-18(15-22)20(24)21(3)10-4-11-23/h5-8,16,18,23H,4,9-15H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176930608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).