N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide

C15H22N2O4 — CID 56781401

IUPACN-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(C(=O)c1ccc(C)c(OC)c1)C(C)C(N)=O
InChIInChI=1S/C15H22N2O4/c1-10-5-6-12(9-13(10)21-4)15(19)17(7-8-20-3)11(2)14(16)18/h5-6,9,11H,7-8H2,1-4H3,(H2,16,18)
InChIKeyZUCVVZSKZLFHDJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.97
Rot. Bonds7

About N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide

N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 56781401) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID56781401
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(C(=O)c1ccc(C)c(OC)c1)C(C)C(N)=O
InChIInChI=1S/C15H22N2O4/c1-10-5-6-12(9-13(10)21-4)15(19)17(7-8-20-3)11(2)14(16)18/h5-6,9,11H,7-8H2,1-4H3,(H2,16,18)
InChIKeyZUCVVZSKZLFHDJ-UHFFFAOYSA-N
XLogP0.97
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 95156000
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide (CID 56781401) is N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide is COCCN(C(=O)c1ccc(C)c(OC)c1)C(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is ZUCVVZSKZLFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-5-6-12(9-13(10)21-4)15(19)17(7-8-20-3)11(2)14(16)18/h5-6,9,11H,7-8H2,1-4H3,(H2,16,18).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide?
N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 56781401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).