N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

C22H21NO2 — CID 40817507

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO2/c1-14(17-7-3-4-9-20(17)25-2)23-22(24)19-13-12-16-11-10-15-6-5-8-18(19)21(15)16/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyKIUKITHIPKMEDO-AWEZNQCLSA-N
MW331.42 g/mol
LogP4.44
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 40817507) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID40817507
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO2/c1-14(17-7-3-4-9-20(17)25-2)23-22(24)19-13-12-16-11-10-15-6-5-8-18(19)21(15)16/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyKIUKITHIPKMEDO-AWEZNQCLSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 46414825
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 17454816
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 18143667
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 154834422
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 40817507) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is COc1ccccc1[C@H](C)NC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is KIUKITHIPKMEDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21NO2/c1-14(17-7-3-4-9-20(17)25-2)23-22(24)19-13-12-16-11-10-15-6-5-8-18(19)21(15)16/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 40817507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).