tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate

C22H28N2O4 — CID 9264258

IUPACtert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-14-7-12-19(27-6)18(13-14)15(2)23-20(25)16-8-10-17(11-9-16)24-21(26)28-22(3,4)5/h7-13,15H,1-6H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyLRBPHTXIRFQEKB-OAHLLOKOSA-N
MW384.48 g/mol
LogP4.84
Rot. Bonds5

About tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate (PubChem CID 9264258) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
PubChem CID9264258
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-14-7-12-19(27-6)18(13-14)15(2)23-20(25)16-8-10-17(11-9-16)24-21(26)28-22(3,4)5/h7-13,15H,1-6H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyLRBPHTXIRFQEKB-OAHLLOKOSA-N
XLogP4.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate (CID 9264258) is tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate is COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate?
The InChIKey is LRBPHTXIRFQEKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-7-12-19(27-6)18(13-14)15(2)23-20(25)16-8-10-17(11-9-16)24-21(26)28-22(3,4)5/h7-13,15H,1-6H3,(H,23,25)(H,24,26)/t15-/m1/s1.
What are the key properties of tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9264258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).