N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide

C25H27NO2 — CID 133189081

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H27NO2/c1-3-24(28-23-14-13-18-7-4-5-8-22(18)16-23)25(27)26-17(2)20-12-11-19-9-6-10-21(19)15-20/h4-5,7-8,11-17,24H,3,6,9-10H2,1-2H3,(H,26,27)
InChIKeyNEYQSICVYGJBGP-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.36
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 133189081) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID133189081
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H27NO2/c1-3-24(28-23-14-13-18-7-4-5-8-22(18)16-23)25(27)26-17(2)20-12-11-19-9-6-10-21(19)15-20/h4-5,7-8,11-17,24H,3,6,9-10H2,1-2H3,(H,26,27)
InChIKeyNEYQSICVYGJBGP-UHFFFAOYSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184920
N-[1-(4-ethylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133160109
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 132669057
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide (CID 133189081) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is NEYQSICVYGJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-24(28-23-14-13-18-7-4-5-8-22(18)16-23)25(27)26-17(2)20-12-11-19-9-6-10-21(19)15-20/h4-5,7-8,11-17,24H,3,6,9-10H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 373.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 133189081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).