tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate

C21H28N2O3 — CID 19989025

IUPACtert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)26-20(25)23-13-7-6-12-22-19(24)15-16-10-11-17-8-4-5-9-18(17)14-16/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGBJAPPLSJCVOG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.80
Rot. Bonds7

About tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate

tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate (PubChem CID 19989025) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
PubChem CID19989025
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nametert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)26-20(25)23-13-7-6-12-22-19(24)15-16-10-11-17-8-4-5-9-18(17)14-16/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGBJAPPLSJCVOG-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.80
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

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tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
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tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
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N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
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2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
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tert-butyl N-[4-(3-anthracen-9-ylpropanoylamino)butyl]carbamate
CID 102371145
tert-butyl 3-[[(2-naphthalen-2-ylacetyl)amino]methyl]azetidine-1-carboxylate
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2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
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tert-butyl N-[3-[3-[[2-(2-methylphenyl)acetyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921667
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate (CID 19989025) is tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate is CC(C)(C)OC(=O)NCCCCNC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate?
The InChIKey is JGBJAPPLSJCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-21(2,3)26-20(25)23-13-7-6-12-22-19(24)15-16-10-11-17-8-4-5-9-18(17)14-16/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate?
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate is sourced from PubChem (CID 19989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).