N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide

C24H30N2O4 — CID 45076841

IUPACN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
SMILESCCC(C)C(NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H30N2O4/c1-5-15(2)22(24(28)25-19-10-9-16-7-6-8-17(16)11-19)26-23(27)18-12-20(29-3)14-21(13-18)30-4/h9-15,22H,5-8H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyASHJPBPKIKQDEE-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.98
Rot. Bonds8

About N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide

N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 45076841) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
PubChem CID45076841
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
SMILESCCC(C)C(NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H30N2O4/c1-5-15(2)22(24(28)25-19-10-9-16-7-6-8-17(16)11-19)26-23(27)18-12-20(29-3)14-21(13-18)30-4/h9-15,22H,5-8H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyASHJPBPKIKQDEE-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
N-[(2S,3S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 76851937
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
CID 42704160
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9369331
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
dimethyl 5-[[(2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzene-1,3-dicarboxylate
CID 55930261
3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide
CID 55891573
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
N-[(2S)-1-(3,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 34169078

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide (CID 45076841) is N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide is CCC(C)C(NC(=O)c1cc(OC)cc(OC)c1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is ASHJPBPKIKQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-15(2)22(24(28)25-19-10-9-16-7-6-8-17(16)11-19)26-23(27)18-12-20(29-3)14-21(13-18)30-4/h9-15,22H,5-8H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide?
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 45076841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).