N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

C20H26ClN3O4 — CID 119418919

IUPACN-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)cc1N.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-12(2)18(23-19(24)14-7-5-6-8-16(14)26-3)20(25)22-13-9-10-17(27-4)15(21)11-13;/h5-12,18H,21H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyFTCJVYBUEIFTGR-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.10
Rot. Bonds7

About N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (PubChem CID 119418919) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
PubChem CID119418919
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC NameN-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)cc1N.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-12(2)18(23-19(24)14-7-5-6-8-16(14)26-3)20(25)22-13-9-10-17(27-4)15(21)11-13;/h5-12,18H,21H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyFTCJVYBUEIFTGR-UHFFFAOYSA-N
XLogP3.10
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
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CID 29204396
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
tert-butyl N-[2-fluoro-5-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]carbamate
CID 55967651
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
methyl 2-[[2-[4-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
CID 55964992
[(2S)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847924
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 42703785
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (CID 119418919) is N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is COc1ccc(NC(=O)C(NC(=O)c2ccccc2OC)C(C)C)cc1N.Cl.
What is the InChIKey of N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The InChIKey is FTCJVYBUEIFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-12(2)18(23-19(24)14-7-5-6-8-16(14)26-3)20(25)22-13-9-10-17(27-4)15(21)11-13;/h5-12,18H,21H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).