butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C17H21NO2 — CID 125470407

IUPACbutyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESCCCCOC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-3-4-12-20-17(19)18-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyZFOPAWOJBDRQLQ-CYBMUJFWSA-N
MW271.36 g/mol
LogP4.43
Rot. Bonds5

About butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 125470407) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
PubChem CID125470407
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namebutyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESCCCCOC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-3-4-12-20-17(19)18-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyZFOPAWOJBDRQLQ-CYBMUJFWSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
butyl N-(1-phenylethyl)carbamate
CID 571821
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
4-[1-(butoxycarbonylamino)ethyl]benzoic acid
CID 151330603
4-[(1R)-1-(butoxycarbonylamino)ethyl]benzoic acid
CID 91012324
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
CID 22382006
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320

Frequently Asked Questions

What is the IUPAC name of butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The IUPAC name of butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 125470407) is butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.
What is the SMILES notation for butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The canonical SMILES for butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate is CCCCOC(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The InChIKey is ZFOPAWOJBDRQLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-12-20-17(19)18-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h5-11,13H,3-4,12H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 125470407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).