tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate

C24H27NO3 — CID 121230742

IUPACtert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)25-21(19-11-5-4-6-12-19)16-17-27-22-15-9-13-18-10-7-8-14-20(18)22/h4-15,21H,16-17H2,1-3H3,(H,25,26)
InChIKeyDYLNOWNCGBJNMC-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.87
Rot. Bonds6

About tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate

tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate (PubChem CID 121230742) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate
PubChem CID121230742
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nametert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)25-21(19-11-5-4-6-12-19)16-17-27-22-15-9-13-18-10-7-8-14-20(18)22/h4-15,21H,16-17H2,1-3H3,(H,25,26)
InChIKeyDYLNOWNCGBJNMC-UHFFFAOYSA-N
XLogP5.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate (CID 121230742) is tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate is CC(C)(C)OC(=O)NC(CCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate?
The InChIKey is DYLNOWNCGBJNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2,3)28-23(26)25-21(19-11-5-4-6-12-19)16-17-27-22-15-9-13-18-10-7-8-14-20(18)22/h4-15,21H,16-17H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate?
tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate has a molecular weight of 377.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate is sourced from PubChem (CID 121230742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).