N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide

C16H22N2O4 — CID 99800215

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)N3CC(C(C)(C)O)C3)cc2O1
InChIInChI=1S/C16H22N2O4/c1-15(2,20)10-8-18(9-10)14(19)17-11-5-6-12-13(7-11)22-16(3,4)21-12/h5-7,10,20H,8-9H2,1-4H3,(H,17,19)
InChIKeyWNIRIGVVTWAREW-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.43
Rot. Bonds2

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide (PubChem CID 99800215) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
PubChem CID99800215
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)N3CC(C(C)(C)O)C3)cc2O1
InChIInChI=1S/C16H22N2O4/c1-15(2,20)10-8-18(9-10)14(19)17-11-5-6-12-13(7-11)22-16(3,4)21-12/h5-7,10,20H,8-9H2,1-4H3,(H,17,19)
InChIKeyWNIRIGVVTWAREW-UHFFFAOYSA-N
XLogP2.43
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122091010
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125
N-(cyclopropylmethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676340
4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992760
N-[4-[2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]phenyl]-3,3-dimethylbutanamide
CID 71873975
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983233
3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
CID 66030886
methyl 1-[(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)carbamoyl]piperidine-3-carboxylate
CID 122150628
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
CID 115293826

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide (CID 99800215) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide is CC1(C)Oc2ccc(NC(=O)N3CC(C(C)(C)O)C3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The InChIKey is WNIRIGVVTWAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-15(2,20)10-8-18(9-10)14(19)17-11-5-6-12-13(7-11)22-16(3,4)21-12/h5-7,10,20H,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 99800215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).