tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate

C19H28N2O4 — CID 95177131

IUPACtert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O4/c1-13(21-17(23)25-18(2,3)4)16(22)20-12-19(24)11-7-9-14-8-5-6-10-15(14)19/h5-6,8,10,13,24H,7,9,11-12H2,1-4H3,(H,20,22)(H,21,23)/t13-,19+/m1/s1
InChIKeyCNEBOEBQRYHIQS-YJYMSZOUSA-N
MW348.44 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 95177131) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID95177131
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O4/c1-13(21-17(23)25-18(2,3)4)16(22)20-12-19(24)11-7-9-14-8-5-6-10-15(14)19/h5-6,8,10,13,24H,7,9,11-12H2,1-4H3,(H,20,22)(H,21,23)/t13-,19+/m1/s1
InChIKeyCNEBOEBQRYHIQS-YJYMSZOUSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
CID 111483109
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 111110756
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 166199835
tert-butyl N-[1-(2-cyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-2-yl]carbamate
CID 173483368
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
CID 75387842
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
tert-butyl N-[1-[(1-hydroxycyclopentyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 110427475

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate (CID 95177131) is tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCc2ccccc21.
What is the InChIKey of tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is CNEBOEBQRYHIQS-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(21-17(23)25-18(2,3)4)16(22)20-12-19(24)11-7-9-14-8-5-6-10-15(14)19/h5-6,8,10,13,24H,7,9,11-12H2,1-4H3,(H,20,22)(H,21,23)/t13-,19+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 95177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).