butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate

C18H22N2O3 — CID 108573171

IUPACbutyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-2-3-13-23-18(22)20-12-11-19-17(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyMLFMQSUJFYUAMD-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.10
Rot. Bonds7

About butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate

butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate (PubChem CID 108573171) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
PubChem CID108573171
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namebutyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-2-3-13-23-18(22)20-12-11-19-17(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyMLFMQSUJFYUAMD-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecylnaphthalene-1-carboxamide
CID 4278758
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
butyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574426
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate?
The IUPAC name of butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate (CID 108573171) is butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate.
What is the SMILES notation for butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate?
The canonical SMILES for butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate is CCCCOC(=O)NCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate?
The InChIKey is MLFMQSUJFYUAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-3-13-23-18(22)20-12-11-19-17(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate?
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 108573171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).