(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate

C16H15NO4 — CID 163407001

IUPAC(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)cc(OC(C)=O)c2ccccc12
InChIInChI=1S/C16H15NO4/c1-9(2)16(19)21-15-12-7-5-4-6-11(12)14(8-13(15)17)20-10(3)18/h4-8H,1,17H2,2-3H3
InChIKeyLSJXINWCVPGACH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.83
Rot. Bonds3

About (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate

(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 163407001) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID163407001
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)cc(OC(C)=O)c2ccccc12
InChIInChI=1S/C16H15NO4/c1-9(2)16(19)21-15-12-7-5-4-6-11(12)14(8-13(15)17)20-10(3)18/h4-8H,1,17H2,2-3H3
InChIKeyLSJXINWCVPGACH-UHFFFAOYSA-N
XLogP2.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406991
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656
(2-acetyloxy-6-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406621
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate (CID 163407001) is (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(N)cc(OC(C)=O)c2ccccc12.
What is the InChIKey of (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is LSJXINWCVPGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9(2)16(19)21-15-12-7-5-4-6-11(12)14(8-13(15)17)20-10(3)18/h4-8H,1,17H2,2-3H3.
What are the key properties of (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate?
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 285.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163407001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).