2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone

C19H20N2O2 — CID 141089093

IUPAC2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone
SMILESC[C@@H](COc1ccc2ccccc2c1)NCC(=O)n1cccc1
InChIInChI=1S/C19H20N2O2/c1-15(20-13-19(22)21-10-4-5-11-21)14-23-18-9-8-16-6-2-3-7-17(16)12-18/h2-12,15,20H,13-14H2,1H3/t15-/m0/s1
InChIKeyDKDZDNYFWOSDMU-HNNXBMFYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds6

About 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone

2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone (PubChem CID 141089093) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone.

Molecular Properties

Compound Name2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone
PubChem CID141089093
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone
SMILESC[C@@H](COc1ccc2ccccc2c1)NCC(=O)n1cccc1
InChIInChI=1S/C19H20N2O2/c1-15(20-13-19(22)21-10-4-5-11-21)14-23-18-9-8-16-6-2-3-7-17(16)12-18/h2-12,15,20H,13-14H2,1H3/t15-/m0/s1
InChIKeyDKDZDNYFWOSDMU-HNNXBMFYSA-N
XLogP3.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yloxypropan-2-ol
CID 2793897
N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol
CID 64803525
2-(2-methoxypropoxy)naphthalene
CID 155439775
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
2,2-dimethyl-3-naphthalen-2-yloxy-N-propan-2-ylpropan-1-amine
CID 79626422
N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-carboxamide
CID 892675
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone?
The IUPAC name of 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone (CID 141089093) is 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone.
What is the SMILES notation for 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone?
The canonical SMILES for 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone is C[C@@H](COc1ccc2ccccc2c1)NCC(=O)n1cccc1.
What is the InChIKey of 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone?
The InChIKey is DKDZDNYFWOSDMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(20-13-19(22)21-10-4-5-11-21)14-23-18-9-8-16-6-2-3-7-17(16)12-18/h2-12,15,20H,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone?
2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone has a molecular weight of 308.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone is sourced from PubChem (CID 141089093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).