(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H24N2O2 — CID 39983733

IUPAC(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-17(2,3)19-15(20)11-18-16(21)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyZGQSURQJKNKEAL-AWEZNQCLSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds3

About (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 39983733) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID39983733
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-17(2,3)19-15(20)11-18-16(21)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyZGQSURQJKNKEAL-AWEZNQCLSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48735822
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 39983733) is (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZGQSURQJKNKEAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)19-15(20)11-18-16(21)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 39983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).