N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide

C13H20N2O3 — CID 112701391

IUPACN-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-14)15(2)13(16)11-6-5-10(17-3)7-12(11)18-4/h5-7,9H,8,14H2,1-4H3
InChIKeyTZEBAKQPZSUGBN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide

N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide (PubChem CID 112701391) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
PubChem CID112701391
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-14)15(2)13(16)11-6-5-10(17-3)7-12(11)18-4/h5-7,9H,8,14H2,1-4H3
InChIKeyTZEBAKQPZSUGBN-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
CID 119581718
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 112704642
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
2-(aminomethyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
CID 116574412
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide (CID 112701391) is N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C(C)CN)c(OC)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is TZEBAKQPZSUGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-14)15(2)13(16)11-6-5-10(17-3)7-12(11)18-4/h5-7,9H,8,14H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide?
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 112701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).