N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide

C19H18N2O5 — CID 168537701

IUPACN-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(NC=C2C(=O)OC(C)(C)OC2=O)cc2ccccc12
InChIInChI=1S/C19H18N2O5/c1-11(22)21-16-9-13(8-12-6-4-5-7-14(12)16)20-10-15-17(23)25-19(2,3)26-18(15)24/h4-10,20H,1-3H3,(H,21,22)
InChIKeyJYYYHCNAFXUNNJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.93
Rot. Bonds3

About N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide

N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide (PubChem CID 168537701) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide
PubChem CID168537701
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(NC=C2C(=O)OC(C)(C)OC2=O)cc2ccccc12
InChIInChI=1S/C19H18N2O5/c1-11(22)21-16-9-13(8-12-6-4-5-7-14(12)16)20-10-15-17(23)25-19(2,3)26-18(15)24/h4-10,20H,1-3H3,(H,21,22)
InChIKeyJYYYHCNAFXUNNJ-UHFFFAOYSA-N
XLogP2.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide?
The IUPAC name of N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide (CID 168537701) is N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide is CC(=O)Nc1cc(NC=C2C(=O)OC(C)(C)OC2=O)cc2ccccc12.
What is the InChIKey of N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide?
The InChIKey is JYYYHCNAFXUNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11(22)21-16-9-13(8-12-6-4-5-7-14(12)16)20-10-15-17(23)25-19(2,3)26-18(15)24/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide?
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide has a molecular weight of 354.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]naphthalen-1-yl]acetamide is sourced from PubChem (CID 168537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).