ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate

C17H19NO4 — CID 88744288

IUPACethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NC(C=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H19NO4/c1-3-22-17(20)18-15(11-19)9-12-4-5-14-10-16(21-2)7-6-13(14)8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,18,20)
InChIKeyRNUSVVCCRWDKKC-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.70
Rot. Bonds6

About ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate

ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate (PubChem CID 88744288) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
PubChem CID88744288
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NC(C=O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H19NO4/c1-3-22-17(20)18-15(11-19)9-12-4-5-14-10-16(21-2)7-6-13(14)8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,18,20)
InChIKeyRNUSVVCCRWDKKC-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 11291018
ethyl N-[(E)-2-(6-methoxynaphthalen-2-yl)prop-1-enyl]carbamate
CID 10424062
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate (CID 88744288) is ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate is CCOC(=O)NC(C=O)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate?
The InChIKey is RNUSVVCCRWDKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-22-17(20)18-15(11-19)9-12-4-5-14-10-16(21-2)7-6-13(14)8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate?
ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 88744288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).