tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate

C19H24N2O3 — CID 118899189

IUPACtert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate
SMILESC[C@@H](CC(=O)Nc1cccc2ccccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-13(20-18(23)24-19(2,3)4)12-17(22)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,12H2,1-4H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyNFZJJXYJYQCXJZ-ZDUSSCGKSA-N
MW328.41 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate (PubChem CID 118899189) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate
PubChem CID118899189
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate
SMILESC[C@@H](CC(=O)Nc1cccc2ccccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-13(20-18(23)24-19(2,3)4)12-17(22)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,12H2,1-4H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyNFZJJXYJYQCXJZ-ZDUSSCGKSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-4-(2-methylanilino)-4-oxobutan-2-yl]carbamate
CID 95781912
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl N-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]carbamate
CID 84551382
(2S)-N'-tert-butyl-N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide
CID 148661033
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
CID 150294769
tert-butyl N-[(1S)-3-[2-(dimethylamino)anilino]-3-oxo-1-phenylpropyl]carbamate
CID 97006840
tert-butyl N-[3-[2-(dimethylamino)anilino]-3-oxo-1-phenylpropyl]carbamate
CID 71845559
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
tert-butyl N-[3-(4-hydroxyphenyl)-1-[[3-methyl-1-(naphthalen-1-ylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71720070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate (CID 118899189) is tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate is C[C@@H](CC(=O)Nc1cccc2ccccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate?
The InChIKey is NFZJJXYJYQCXJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(20-18(23)24-19(2,3)4)12-17(22)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,12H2,1-4H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 118899189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).