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N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide

C19H25N3O3 — CID 8921277

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-13-7-5-8-14(2)19(13)21-17(23)12-22(4)18(24)11-20-15(3)16-9-6-10-25-16/h5-10,15,20H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyAXXMVHZGRXYTSW-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide (PubChem CID 8921277) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
PubChem CID8921277
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-13-7-5-8-14(2)19(13)21-17(23)12-22(4)18(24)11-20-15(3)16-9-6-10-25-16/h5-10,15,20H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyAXXMVHZGRXYTSW-HNNXBMFYSA-N
XLogP2.64
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide (CID 8921277) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN[C@@H](C)c1ccco1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The InChIKey is AXXMVHZGRXYTSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-7-5-8-14(2)19(13)21-17(23)12-22(4)18(24)11-20-15(3)16-9-6-10-25-16/h5-10,15,20H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide has a molecular weight of 343.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8921277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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