tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate

C24H34N2O3 — CID 10739656

IUPACtert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H34N2O3/c1-8-20(26-22(28)29-23(3,4)5)24(6,7)21(27)25-16(2)18-15-11-13-17-12-9-10-14-19(17)18/h9-16,20H,8H2,1-7H3,(H,25,27)(H,26,28)/t16-,20-/m1/s1
InChIKeyBCAGELGKYGOEKX-OXQOHEQNSA-N
MW398.55 g/mol
LogP5.35
Rot. Bonds6

About tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate

tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate (PubChem CID 10739656) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
PubChem CID10739656
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Nametert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H34N2O3/c1-8-20(26-22(28)29-23(3,4)5)24(6,7)21(27)25-16(2)18-15-11-13-17-12-9-10-14-19(17)18/h9-16,20H,8H2,1-7H3,(H,25,27)(H,26,28)/t16-,20-/m1/s1
InChIKeyBCAGELGKYGOEKX-OXQOHEQNSA-N
XLogP5.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
tert-butyl N-[(1S)-1-naphthalen-1-yl-2-nitroethyl]carbamate
CID 102432583
tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
CID 163236397
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate (CID 10739656) is tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate?
The InChIKey is BCAGELGKYGOEKX-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-8-20(26-22(28)29-23(3,4)5)24(6,7)21(27)25-16(2)18-15-11-13-17-12-9-10-14-19(17)18/h9-16,20H,8H2,1-7H3,(H,25,27)(H,26,28)/t16-,20-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate?
tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate has a molecular weight of 398.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 10739656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).