N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide

C16H25ClN2O2 — CID 119656231

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C16H25ClN2O2/c1-11-6-7-13(17)14(8-11)21-12(2)15(20)19(5)10-16(3,4)9-18/h6-8,12H,9-10,18H2,1-5H3
InChIKeyFLOVIOPIHHHGHD-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.86
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide

N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide (PubChem CID 119656231) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
PubChem CID119656231
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C16H25ClN2O2/c1-11-6-7-13(17)14(8-11)21-12(2)15(20)19(5)10-16(3,4)9-18/h6-8,12H,9-10,18H2,1-5H3
InChIKeyFLOVIOPIHHHGHD-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 94207951
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
2-[2-(2-chloro-5-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200706
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 75385932

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide (CID 119656231) is N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide is Cc1ccc(Cl)c(OC(C)C(=O)N(C)CC(C)(C)CN)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
The InChIKey is FLOVIOPIHHHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11-6-7-13(17)14(8-11)21-12(2)15(20)19(5)10-16(3,4)9-18/h6-8,12H,9-10,18H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide has a molecular weight of 312.84 g/mol, XLogP of 2.86, 6 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)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 119656231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).