N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride

C13H29ClN2O2 — CID 119729632

IUPACN-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
SMILESCCC(CC)N(CCOC)C(=O)C(C)CNC.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-6-12(7-2)15(8-9-17-5)13(16)11(3)10-14-4;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyAITHRGQYBWYGSF-UHFFFAOYSA-N
MW280.84 g/mol
LogP1.93
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride

N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride (PubChem CID 119729632) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
PubChem CID119729632
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
SMILESCCC(CC)N(CCOC)C(=O)C(C)CNC.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-6-12(7-2)15(8-9-17-5)13(16)11(3)10-14-4;/h11-12,14H,6-10H2,1-5H3;1H
InChIKeyAITHRGQYBWYGSF-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 79202084
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 103338873
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
CID 54871818
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119855422
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride (CID 119729632) is N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride is CCC(CC)N(CCOC)C(=O)C(C)CNC.Cl.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride?
The InChIKey is AITHRGQYBWYGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-6-12(7-2)15(8-9-17-5)13(16)11(3)10-14-4;/h11-12,14H,6-10H2,1-5H3;1H.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride?
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119729632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).