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

C21H25NO2 — CID 133188915

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C21H25NO2/c1-14-6-4-9-20(12-14)24-16(3)21(23)22-15(2)18-11-10-17-7-5-8-19(17)13-18/h4,6,9-13,15-16H,5,7-8H2,1-3H3,(H,22,23)
InChIKeyAMRHYSNNVIQSGC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds5

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

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 133188915) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID133188915
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(C)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C21H25NO2/c1-14-6-4-9-20(12-14)24-16(3)21(23)22-15(2)18-11-10-17-7-5-8-19(17)13-18/h4,6,9-13,15-16H,5,7-8H2,1-3H3,(H,22,23)
InChIKeyAMRHYSNNVIQSGC-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190650
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190649
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100767335
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide (CID 133188915) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC(C)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is AMRHYSNNVIQSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14-6-4-9-20(12-14)24-16(3)21(23)22-15(2)18-11-10-17-7-5-8-19(17)13-18/h4,6,9-13,15-16H,5,7-8H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 323.44 g/mol, XLogP of 4.13, 5 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 133188915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).