N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

C22H27N3O4 — CID 54835975

IUPACN-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C22H27N3O4/c1-16(2)15-29-20-10-5-4-9-19(20)25-21(26)14-24-18-8-6-7-17(13-18)22(27)23-11-12-28-3/h4-10,13,24H,1,11-12,14-15H2,2-3H3,(H,23,27)(H,25,26)
InChIKeyVPTGVCIARAOALY-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.07
Rot. Bonds11

About N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835975) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835975
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C22H27N3O4/c1-16(2)15-29-20-10-5-4-9-19(20)25-21(26)14-24-18-8-6-7-17(13-18)22(27)23-11-12-28-3/h4-10,13,24H,1,11-12,14-15H2,2-3H3,(H,23,27)(H,25,26)
InChIKeyVPTGVCIARAOALY-UHFFFAOYSA-N
XLogP3.07
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843216
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54835975) is N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCCOC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VPTGVCIARAOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(2)15-29-20-10-5-4-9-19(20)25-21(26)14-24-18-8-6-7-17(13-18)22(27)23-11-12-28-3/h4-10,13,24H,1,11-12,14-15H2,2-3H3,(H,23,27)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).