3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide

C23H29N3O2 — CID 23723749

IUPAC3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C23H29N3O2/c1-18(27)24-13-12-22(28)25-17-23(14-20-10-6-7-11-21(20)15-23)26(2)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDILTWEIJVYRFMT-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.30
Rot. Bonds8

About 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide

3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide (PubChem CID 23723749) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide
PubChem CID23723749
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C23H29N3O2/c1-18(27)24-13-12-22(28)25-17-23(14-20-10-6-7-11-21(20)15-23)26(2)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDILTWEIJVYRFMT-UHFFFAOYSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-phenylpropanamide
CID 7946185
N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
CID 28697203
N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
CID 28768721
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427
3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide
CID 119891327
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 45228835
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
3-acetamido-N-[[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]methyl]-N-methylpropanamide
CID 170418651

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide (CID 23723749) is 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide is CC(=O)NCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide?
The InChIKey is DILTWEIJVYRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(27)24-13-12-22(28)25-17-23(14-20-10-6-7-11-21(20)15-23)26(2)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide?
3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide is sourced from PubChem (CID 23723749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).