[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate

C27H31NO2 — CID 118939152

IUPAC[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate
SMILESC[C@H](c1cccc2ccccc12)C1(C(C)(C)C)c2ccccc2CCC1OC(N)=O
InChIInChI=1S/C27H31NO2/c1-18(21-14-9-12-19-10-5-7-13-22(19)21)27(26(2,3)4)23-15-8-6-11-20(23)16-17-24(27)30-25(28)29/h5-15,18,24H,16-17H2,1-4H3,(H2,28,29)/t18-,24?,27?/m1/s1
InChIKeyYXWVNNWXKIKAQN-ZCCKZZATSA-N
MW401.55 g/mol
LogP6.34
Rot. Bonds3

About [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate

[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate (PubChem CID 118939152) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate
PubChem CID118939152
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate
SMILESC[C@H](c1cccc2ccccc12)C1(C(C)(C)C)c2ccccc2CCC1OC(N)=O
InChIInChI=1S/C27H31NO2/c1-18(21-14-9-12-19-10-5-7-13-22(19)21)27(26(2,3)4)23-15-8-6-11-20(23)16-17-24(27)30-25(28)29/h5-15,18,24H,16-17H2,1-4H3,(H2,28,29)/t18-,24?,27?/m1/s1
InChIKeyYXWVNNWXKIKAQN-ZCCKZZATSA-N
XLogP6.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-ylethyl carbamate
CID 14959373
3-naphthalen-1-ylbutanoic acid
CID 43211329
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-pyridine-5-carboxamide
CID 101060850
(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
CID 174934664
ethyl 2-hydroxy-2-methyl-3-naphthalen-1-ylbutanoate
CID 79298470
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781

Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate?
The IUPAC name of [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate (CID 118939152) is [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate.
What is the SMILES notation for [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate?
The canonical SMILES for [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate is C[C@H](c1cccc2ccccc12)C1(C(C)(C)C)c2ccccc2CCC1OC(N)=O.
What is the InChIKey of [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate?
The InChIKey is YXWVNNWXKIKAQN-ZCCKZZATSA-N. The full InChI is InChI=1S/C27H31NO2/c1-18(21-14-9-12-19-10-5-7-13-22(19)21)27(26(2,3)4)23-15-8-6-11-20(23)16-17-24(27)30-25(28)29/h5-15,18,24H,16-17H2,1-4H3,(H2,28,29)/t18-,24?,27?/m1/s1.
What are the key properties of [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate?
[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate has a molecular weight of 401.55 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate is sourced from PubChem (CID 118939152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).