2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide

C22H23N3O3 — CID 51337636

IUPAC2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cnc2ccccc2c1)C(C)C
InChIInChI=1S/C22H23N3O3/c1-14(2)20(25-21(26)17-9-5-7-11-19(17)28-3)22(27)24-16-12-15-8-4-6-10-18(15)23-13-16/h4-14,20H,1-3H3,(H,24,27)(H,25,26)
InChIKeyRRYYNPLTZOISTE-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds6

About 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide (PubChem CID 51337636) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
PubChem CID51337636
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)Nc1cnc2ccccc2c1)C(C)C
InChIInChI=1S/C22H23N3O3/c1-14(2)20(25-21(26)17-9-5-7-11-19(17)28-3)22(27)24-16-12-15-8-4-6-10-18(15)23-13-16/h4-14,20H,1-3H3,(H,24,27)(H,25,26)
InChIKeyRRYYNPLTZOISTE-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
2,6-difluoro-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 46525186
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 42703785
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide (CID 51337636) is 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)Nc1cnc2ccccc2c1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide?
The InChIKey is RRYYNPLTZOISTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(2)20(25-21(26)17-9-5-7-11-19(17)28-3)22(27)24-16-12-15-8-4-6-10-18(15)23-13-16/h4-14,20H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 51337636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).