tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate

C19H28N2O4 — CID 42611530

IUPACtert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate
SMILESCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-12(13-6-8-14(24-5)9-7-13)20-17(22)15-10-11-16(15)21-18(23)25-19(2,3)4/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t12-,15-,16+/m1/s1
InChIKeyPRFBYBVHVVEZLC-WQVCFCJDSA-N
MW348.44 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate

tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate (PubChem CID 42611530) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate
PubChem CID42611530
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate
SMILESCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-12(13-6-8-14(24-5)9-7-13)20-17(22)15-10-11-16(15)21-18(23)25-19(2,3)4/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t12-,15-,16+/m1/s1
InChIKeyPRFBYBVHVVEZLC-WQVCFCJDSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate with MolForge

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Related Compounds

trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
tert-butyl N-[(2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]azetidin-1-yl]carbamate
CID 51031274
tert-butyl (3R,4S)-3-fluoro-4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 99770668
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
(1S,2S,3S,4R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11921975
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
tert-butyl N-[(1R,2S)-2-(propan-2-ylcarbamoyl)cycloheptyl]carbamate
CID 95975128
tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
CID 71758365
N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
CID 171646812
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate (CID 42611530) is tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate is COc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate?
The InChIKey is PRFBYBVHVVEZLC-WQVCFCJDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-12(13-6-8-14(24-5)9-7-13)20-17(22)15-10-11-16(15)21-18(23)25-19(2,3)4/h6-9,12,15-16H,10-11H2,1-5H3,(H,20,22)(H,21,23)/t12-,15-,16+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate?
tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate is sourced from PubChem (CID 42611530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).