N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide

C16H22N2O4 — CID 86910385

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-4-22-13-8-5-11(9-14(13)21-3)16(20)18(2)10-15(19)17-12-6-7-12/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,17,19)
InChIKeySKBRDYPSZSSXQB-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide (PubChem CID 86910385) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
PubChem CID86910385
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-4-22-13-8-5-11(9-14(13)21-3)16(20)18(2)10-15(19)17-12-6-7-12/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,17,19)
InChIKeySKBRDYPSZSSXQB-UHFFFAOYSA-N
XLogP1.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 43572549
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7811553
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1H-indole-5-carboxamide
CID 63719157
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide (CID 86910385) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1OC.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide?
The InChIKey is SKBRDYPSZSSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-22-13-8-5-11(9-14(13)21-3)16(20)18(2)10-15(19)17-12-6-7-12/h5,8-9,12H,4,6-7,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 86910385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).