butyl N-(2-naphthalen-1-yloxyethyl)carbamate

C17H21NO3 — CID 19174706

IUPACbutyl N-(2-naphthalen-1-yloxyethyl)carbamate
SMILESCCCCOC(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-2-3-12-21-17(19)18-11-13-20-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,18,19)
InChIKeyLPVYVYUHEUSECQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.74
Rot. Bonds7

About butyl N-(2-naphthalen-1-yloxyethyl)carbamate

butyl N-(2-naphthalen-1-yloxyethyl)carbamate (PubChem CID 19174706) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is butyl N-(2-naphthalen-1-yloxyethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-naphthalen-1-yloxyethyl)carbamate
PubChem CID19174706
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namebutyl N-(2-naphthalen-1-yloxyethyl)carbamate
SMILESCCCCOC(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-2-3-12-21-17(19)18-11-13-20-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,18,19)
InChIKeyLPVYVYUHEUSECQ-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxynaphthalene
CID 13262700
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
butyl N-[2-[3-(2-dimethoxyphosphorylacetyl)-2-prop-2-enoxyphenoxy]ethyl]carbamate
CID 18930740
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-naphthalen-1-yloxyethyl)carbamate?
The IUPAC name of butyl N-(2-naphthalen-1-yloxyethyl)carbamate (CID 19174706) is butyl N-(2-naphthalen-1-yloxyethyl)carbamate.
What is the SMILES notation for butyl N-(2-naphthalen-1-yloxyethyl)carbamate?
The canonical SMILES for butyl N-(2-naphthalen-1-yloxyethyl)carbamate is CCCCOC(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of butyl N-(2-naphthalen-1-yloxyethyl)carbamate?
The InChIKey is LPVYVYUHEUSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-3-12-21-17(19)18-11-13-20-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,18,19).
What are the key properties of butyl N-(2-naphthalen-1-yloxyethyl)carbamate?
butyl N-(2-naphthalen-1-yloxyethyl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-naphthalen-1-yloxyethyl)carbamate is sourced from PubChem (CID 19174706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).