N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide

C20H22N2O2 — CID 18135257

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O2/c23-19(22-18-10-9-16-7-4-8-17(16)14-18)11-12-21-20(24)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,14H,4,7-8,11-13H2,(H,21,24)(H,22,23)
InChIKeyFRIMNOWJPRTHDM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.86
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 18135257) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID18135257
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O2/c23-19(22-18-10-9-16-7-4-8-17(16)14-18)11-12-21-20(24)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,14H,4,7-8,11-13H2,(H,21,24)(H,22,23)
InChIKeyFRIMNOWJPRTHDM-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523454
3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 4755836
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 32965914
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 18135257) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is FRIMNOWJPRTHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(22-18-10-9-16-7-4-8-17(16)14-18)11-12-21-20(24)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,14H,4,7-8,11-13H2,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 18135257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).