2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide

C25H27NO3 — CID 1017404

IUPAC2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(C)OC(c2cccc(NC(=O)Cc3cccc4ccccc34)c2)OC1(C)C
InChIInChI=1S/C25H27NO3/c1-24(2)25(3,4)29-23(28-24)19-12-8-13-20(15-19)26-22(27)16-18-11-7-10-17-9-5-6-14-21(17)18/h5-15,23H,16H2,1-4H3,(H,26,27)
InChIKeyLHBMIONTROULLP-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.62
Rot. Bonds4

About 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide

2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide (PubChem CID 1017404) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
PubChem CID1017404
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC1(C)OC(c2cccc(NC(=O)Cc3cccc4ccccc34)c2)OC1(C)C
InChIInChI=1S/C25H27NO3/c1-24(2)25(3,4)29-23(28-24)19-12-8-13-20(15-19)26-22(27)16-18-11-7-10-17-9-5-6-14-21(17)18/h5-15,23H,16H2,1-4H3,(H,26,27)
InChIKeyLHBMIONTROULLP-UHFFFAOYSA-N
XLogP5.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
CID 67978623
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-(9H-carbazol-3-yl)-2-naphthalen-1-ylacetamide
CID 43917240
2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133220
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 26158889

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide (CID 1017404) is 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide is CC1(C)OC(c2cccc(NC(=O)Cc3cccc4ccccc34)c2)OC1(C)C.
What is the InChIKey of 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The InChIKey is LHBMIONTROULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-24(2)25(3,4)29-23(28-24)19-12-8-13-20(15-19)26-22(27)16-18-11-7-10-17-9-5-6-14-21(17)18/h5-15,23H,16H2,1-4H3,(H,26,27).
What are the key properties of 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 1017404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).