N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide

C20H25N3O4 — CID 119439139

IUPACN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC(=O)NC)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-4-22-12-15-7-5-6-8-16(15)23-20(25)14-9-10-17(18(11-14)26-3)27-13-19(24)21-2/h5-11,22H,4,12-13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyXKNXACYWZMVVSI-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.18
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide

N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 119439139) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
PubChem CID119439139
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC(=O)NC)c(OC)c1
InChIInChI=1S/C20H25N3O4/c1-4-22-12-15-7-5-6-8-16(15)23-20(25)14-9-10-17(18(11-14)26-3)27-13-19(24)21-2/h5-11,22H,4,12-13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyXKNXACYWZMVVSI-UHFFFAOYSA-N
XLogP2.18
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide (CID 119439139) is N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide is CCNCc1ccccc1NC(=O)c1ccc(OCC(=O)NC)c(OC)c1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
The InChIKey is XKNXACYWZMVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-22-12-15-7-5-6-8-16(15)23-20(25)14-9-10-17(18(11-14)26-3)27-13-19(24)21-2/h5-11,22H,4,12-13H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide?
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 371.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 119439139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).