N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide

C23H24N2O — CID 90204678

IUPACN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O/c1-2-23(24)15-21(23)17-10-12-19(13-11-17)25-22(26)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13,21H,2,14-15,24H2,1H3,(H,25,26)/t21-,23-/m0/s1
InChIKeyGTTVYZPBGOLQJI-GMAHTHKFSA-N
MW344.46 g/mol
LogP4.62
Rot. Bonds5

About N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 90204678) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID90204678
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O/c1-2-23(24)15-21(23)17-10-12-19(13-11-17)25-22(26)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13,21H,2,14-15,24H2,1H3,(H,25,26)/t21-,23-/m0/s1
InChIKeyGTTVYZPBGOLQJI-GMAHTHKFSA-N
XLogP4.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide
CID 90205067
N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483787
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 110930980
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide (CID 90204678) is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide is CC[C@]1(N)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is GTTVYZPBGOLQJI-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-23(24)15-21(23)17-10-12-19(13-11-17)25-22(26)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13,21H,2,14-15,24H2,1H3,(H,25,26)/t21-,23-/m0/s1.
What are the key properties of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 90204678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).