tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C27H33NO2 — CID 58351223

IUPACtert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESCc1cccc(CCCN(C(=O)OC(C)(C)C)[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C27H33NO2/c1-20-11-8-12-22(19-20)13-10-18-28(26(29)30-27(3,4)5)21(2)24-17-9-15-23-14-6-7-16-25(23)24/h6-9,11-12,14-17,19,21H,10,13,18H2,1-5H3/t21-/m1/s1
InChIKeySWAMUFZMAJTAKQ-OAQYLSRUSA-N
MW403.57 g/mol
LogP7.08
Rot. Bonds6

About tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate

tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 58351223) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate
PubChem CID58351223
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Nametert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESCc1cccc(CCCN(C(=O)OC(C)(C)C)[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C27H33NO2/c1-20-11-8-12-22(19-20)13-10-18-28(26(29)30-27(3,4)5)21(2)24-17-9-15-23-14-6-7-16-25(23)24/h6-9,11-12,14-17,19,21H,10,13,18H2,1-5H3/t21-/m1/s1
InChIKeySWAMUFZMAJTAKQ-OAQYLSRUSA-N
XLogP7.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-methylphenyl)propyl-[(1R)-1-naphthalen-1-ylethyl]carbamoyl]oxyethyl 4-methyl-2-[[2-[tris[2-[[4-methyl-1-[1-[3-(3-methylphenyl)propyl-[(1R)-1-naphthalen-1-ylethyl]carbamoyl]oxyethoxy]-1-oxopentan-2-yl]amino]-2-oxoethoxy]methoxy]acetyl]amino]pentanoate
CID 147188461
tert-butyl N-[3-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-N-(1-naphthalen-1-ylethyl)carbamate
CID 123543585
(2S)-2-[3-(3-hydroxyphenyl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 118973547
tert-butyl N-[(4-benzylpyrrolidin-3-yl)methyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 91529598
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
tert-butyl N-[2-[4-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]ethyl]-N-(1-naphthalen-1-ylethyl)carbamate
CID 138715068
tert-butyl N-[2-[(2S)-4-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]ethyl]-N-(1-naphthalen-1-ylethyl)carbamate
CID 138715104
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
CID 174834815
N-[(1R)-1-naphthalen-1-ylethyl]-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 46234196
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]-N-[(3-phenylpiperidin-4-yl)methyl]carbamate
CID 59178521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 58351223) is tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate is Cc1cccc(CCCN(C(=O)OC(C)(C)C)[C@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The InChIKey is SWAMUFZMAJTAKQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H33NO2/c1-20-11-8-12-22(19-20)13-10-18-28(26(29)30-27(3,4)5)21(2)24-17-9-15-23-14-6-7-16-25(23)24/h6-9,11-12,14-17,19,21H,10,13,18H2,1-5H3/t21-/m1/s1.
What are the key properties of tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate has a molecular weight of 403.57 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methylphenyl)propyl]-N-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 58351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).