tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate

C22H29NO4 — CID 142700885

IUPACtert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
SMILESCOc1ccccc1O[C@H](CCN(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H29NO4/c1-22(2,3)27-21(24)23(4)16-15-18(17-11-7-6-8-12-17)26-20-14-10-9-13-19(20)25-5/h6-14,18H,15-16H2,1-5H3/t18-/m1/s1
InChIKeyTUKIFQPGGASHBC-GOSISDBHSA-N
MW371.48 g/mol
LogP5.07
Rot. Bonds7

About tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate

tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate (PubChem CID 142700885) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
PubChem CID142700885
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Nametert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
SMILESCOc1ccccc1O[C@H](CCN(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H29NO4/c1-22(2,3)27-21(24)23(4)16-15-18(17-11-7-6-8-12-17)26-20-14-10-9-13-19(20)25-5/h6-14,18H,15-16H2,1-5H3/t18-/m1/s1
InChIKeyTUKIFQPGGASHBC-GOSISDBHSA-N
XLogP5.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-methyl-N-[3-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)phenoxy]-3-phenylpropyl]carbamate
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tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[3-[2-(12-methyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl)phenoxy]-3-phenylpropyl]carbamate
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methyl 3-fluoro-5-[(1S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylpropoxy]pyridine-2-carboxylate
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tert-butyl N-[(3S)-3-(2-bromophenoxy)-3-thiophen-2-ylpropyl]-N-methylcarbamate
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N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
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phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 69379640
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
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2-[4-[(1R)-3-(dimethylamino)-1-phenylpropoxy]-3-methoxyphenyl]-2-hydroxy-1-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate (CID 142700885) is tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate is COc1ccccc1O[C@H](CCN(C)C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The InChIKey is TUKIFQPGGASHBC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29NO4/c1-22(2,3)27-21(24)23(4)16-15-18(17-11-7-6-8-12-17)26-20-14-10-9-13-19(20)25-5/h6-14,18H,15-16H2,1-5H3/t18-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate has a molecular weight of 371.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate is sourced from PubChem (CID 142700885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).