N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide

C14H19ClN2O3 — CID 119656709

IUPACN-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C14H19ClN2O3/c1-14(2,6-16)7-17(3)13(18)9-4-10(15)12-11(5-9)19-8-20-12/h4-5H,6-8,16H2,1-3H3
InChIKeyQQMUTFFRXNWTFD-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.13
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 119656709) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID119656709
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C14H19ClN2O3/c1-14(2,6-16)7-17(3)13(18)9-4-10(15)12-11(5-9)19-8-20-12/h4-5H,6-8,16H2,1-3H3
InChIKeyQQMUTFFRXNWTFD-UHFFFAOYSA-N
XLogP2.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
7-chloro-N-(3-hydroxybutyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 115673508
4-[(7-chloro-1,3-benzodioxole-5-carbonyl)-methylamino]butanoic acid
CID 43240410
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119656792
2-[(7-chloro-1,3-benzodioxole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62818777
7-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 112704617
7-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103772456
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
7-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8967170
7-chloro-N-[(4-cyanophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39859557
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloro-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119575688
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide (CID 119656709) is N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is QQMUTFFRXNWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,6-16)7-17(3)13(18)9-4-10(15)12-11(5-9)19-8-20-12/h4-5H,6-8,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 119656709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).