N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide

C16H25ClN2O2 — CID 119652893

IUPACN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C16H25ClN2O2/c1-5-8-21-14-7-6-12(17)9-13(14)15(20)19(4)11-16(2,3)10-18/h6-7,9H,5,8,10-11,18H2,1-4H3
InChIKeyLGMQVZKLZAHGAG-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.19
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide

N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide (PubChem CID 119652893) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
PubChem CID119652893
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
SMILESCCCOc1ccc(Cl)cc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C16H25ClN2O2/c1-5-8-21-14-7-6-12(17)9-13(14)15(20)19(4)11-16(2,3)10-18/h6-7,9H,5,8,10-11,18H2,1-4H3
InChIKeyLGMQVZKLZAHGAG-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119655726
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
CID 119655324
5-chloro-2-propoxybenzoyl chloride
CID 12863236
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119653102
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide (CID 119652893) is N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide is CCCOc1ccc(Cl)cc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide?
The InChIKey is LGMQVZKLZAHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-8-21-14-7-6-12(17)9-13(14)15(20)19(4)11-16(2,3)10-18/h6-7,9H,5,8,10-11,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide?
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide has a molecular weight of 312.84 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide is sourced from PubChem (CID 119652893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).