N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide

C25H29N2O3+ — CID 7594380

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCCC2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-22-11-9-20(10-12-22)24(27-14-4-5-15-27)17-26-25(28)18-30-23-13-8-19-6-2-3-7-21(19)16-23/h2-3,6-13,16,24H,4-5,14-15,17-18H2,1H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyULHYPFSXGYVDGM-XMMPIXPASA-O
MW405.52 g/mol
LogP2.76
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide

N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 7594380) has the molecular formula C25H29N2O3+ and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID7594380
Molecular FormulaC25H29N2O3+
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCCC2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-22-11-9-20(10-12-22)24(27-14-4-5-15-27)17-26-25(28)18-30-23-13-8-19-6-2-3-7-21(19)16-23/h2-3,6-13,16,24H,4-5,14-15,17-18H2,1H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyULHYPFSXGYVDGM-XMMPIXPASA-O
XLogP2.76
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594382
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8799066
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 7496544
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
2-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 2494641
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 7872799
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9269367
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 43955991
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide (CID 7594380) is N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide is COc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is ULHYPFSXGYVDGM-XMMPIXPASA-O. The full InChI is InChI=1S/C25H28N2O3/c1-29-22-11-9-20(10-12-22)24(27-14-4-5-15-27)17-26-25(28)18-30-23-13-8-19-6-2-3-7-21(19)16-23/h2-3,6-13,16,24H,4-5,14-15,17-18H2,1H3,(H,26,28)/p+1/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide?
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 405.52 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 7594380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).