(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C15H22N2O4 — CID 107210816

IUPAC(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCOc1cc(OC)c(N)c(C(=O)N2CC(O)(C(C)C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-9(2)15(19)7-17(8-15)14(18)11-5-10(20-3)6-12(21-4)13(11)16/h5-6,9,19H,7-8,16H2,1-4H3
InChIKeyIPNJEISRBGPVOZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.13
Rot. Bonds4

About (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107210816) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107210816
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCOc1cc(OC)c(N)c(C(=O)N2CC(O)(C(C)C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-9(2)15(19)7-17(8-15)14(18)11-5-10(20-3)6-12(21-4)13(11)16/h5-6,9,19H,7-8,16H2,1-4H3
InChIKeyIPNJEISRBGPVOZ-UHFFFAOYSA-N
XLogP1.13
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 112606053
(2-amino-3,5-dimethoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667097
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-3,5-dimethoxyphenyl)methanone
CID 115950779
(2-amino-3,5-dimethoxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313239
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813
(2-amino-3,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 115950891
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
(1-amino-1-oxobutan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115605847
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107210816) is (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is COc1cc(OC)c(N)c(C(=O)N2CC(O)(C(C)C)C2)c1.
What is the InChIKey of (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is IPNJEISRBGPVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)15(19)7-17(8-15)14(18)11-5-10(20-3)6-12(21-4)13(11)16/h5-6,9,19H,7-8,16H2,1-4H3.
What are the key properties of (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107210816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).