2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide

C24H26N2O4 — CID 42703785

IUPAC2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc3ccccc3c2)C(C)C)c(OC)c1
InChIInChI=1S/C24H26N2O4/c1-15(2)22(26-23(27)20-12-11-19(29-3)14-21(20)30-4)24(28)25-18-10-9-16-7-5-6-8-17(16)13-18/h5-15,22H,1-4H3,(H,25,28)(H,26,27)
InChIKeyBMMGRYMMFVFOID-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.25
Rot. Bonds7

About 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide

2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 42703785) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
PubChem CID42703785
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc3ccccc3c2)C(C)C)c(OC)c1
InChIInChI=1S/C24H26N2O4/c1-15(2)22(26-23(27)20-12-11-19(29-3)14-21(20)30-4)24(28)25-18-10-9-16-7-5-6-8-17(16)13-18/h5-15,22H,1-4H3,(H,25,28)(H,26,27)
InChIKeyBMMGRYMMFVFOID-UHFFFAOYSA-N
XLogP4.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
2,4-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4133565
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide (CID 42703785) is 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)Nc2ccc3ccccc3c2)C(C)C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is BMMGRYMMFVFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15(2)22(26-23(27)20-12-11-19(29-3)14-21(20)30-4)24(28)25-18-10-9-16-7-5-6-8-17(16)13-18/h5-15,22H,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42703785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).