(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate

C17H17NO5 — CID 163406991

IUPAC(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)cc(OC(=O)OC)c2cc(C)ccc12
InChIInChI=1S/C17H17NO5/c1-9(2)16(19)23-15-11-6-5-10(3)7-12(11)14(8-13(15)18)22-17(20)21-4/h5-8H,1,18H2,2-4H3
InChIKeyHWZGSRKQMICNPQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.36
Rot. Bonds3

About (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate

(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 163406991) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID163406991
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)cc(OC(=O)OC)c2cc(C)ccc12
InChIInChI=1S/C17H17NO5/c1-9(2)16(19)23-15-11-6-5-10(3)7-12(11)14(8-13(15)18)22-17(20)21-4/h5-8H,1,18H2,2-4H3
InChIKeyHWZGSRKQMICNPQ-UHFFFAOYSA-N
XLogP3.36
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-4-methoxycarbonyloxy-1-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 163406887
(10-methoxycarbonyloxy-6-methyl-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163407182
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
[7-methyl-4-(2-methylprop-2-enoyloxy)-3-phenylsulfanylnaphthalen-1-yl] 2-methylprop-2-enoate
CID 163407141
(2-amino-6-chloro-4-methoxycarbonyloxynaphthalen-1-yl) prop-2-enoate
CID 163407082
(2-amino-4-methylphenyl) methyl carbonate
CID 130705115
(4-methoxy-6-methyl-2-phenylsulfanylnaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406944
[3,7-dichloro-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406918
[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406978
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
[7-chloro-3-ethyl-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406554

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate (CID 163406991) is (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(N)cc(OC(=O)OC)c2cc(C)ccc12.
What is the InChIKey of (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is HWZGSRKQMICNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-9(2)16(19)23-15-11-6-5-10(3)7-12(11)14(8-13(15)18)22-17(20)21-4/h5-8H,1,18H2,2-4H3.
What are the key properties of (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate?
(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 315.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).