tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate

C20H25NO4 — CID 68795475

IUPACtert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-16-10-11-17(23-4)12-18(16)24-14-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyNDXGXIABCPNFBI-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate

tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate (PubChem CID 68795475) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
PubChem CID68795475
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-16-10-11-17(23-4)12-18(16)24-14-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyNDXGXIABCPNFBI-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[[5-[carbamoyl(sulfanyl)amino]-2-phenylmethoxyphenyl]methyl]carbamate
CID 56975903
tert-butyl N-[(3-ethynyl-4-phenylmethoxyphenyl)methyl]carbamate
CID 176508099
2-[(4-methoxy-2-phenylmethoxyphenyl)methyl]-3,3-diphenylbutanoic acid
CID 140989107
(2S)-4-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170945967
tert-butyl N-[[2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 59219302
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate (CID 68795475) is tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)OC(C)(C)C)c(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate?
The InChIKey is NDXGXIABCPNFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-16-10-11-17(23-4)12-18(16)24-14-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate?
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 68795475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).