tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate

C18H28N2O5 — CID 130363598

IUPACtert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-17(2,3)25-16(22)20-18(4,5)15(21)19-11-12-8-9-13(23-6)10-14(12)24-7/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyXSVGDLDJZZISBQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 130363598) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID130363598
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nametert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-17(2,3)25-16(22)20-18(4,5)15(21)19-11-12-8-9-13(23-6)10-14(12)24-7/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyXSVGDLDJZZISBQ-UHFFFAOYSA-N
XLogP2.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
(2,4-dimethoxyphenyl)methylurea
CID 53362457
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
tert-butyl N-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]carbamate
CID 166142725
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
tert-butyl N-[1-[(1S)-2-[(2,4-dimethoxyphenyl)methylamino]-1-hydroxy-2-oxoethyl]-3,3-difluorocyclobutyl]carbamate
CID 140611133
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
tert-butyl N-[1-[(2-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740311
methyl 1-[(2,4-dimethoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidine-2-carboxylate
CID 23470103
tert-butyl (2S,3S)-2-[(2,4-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 75449925

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 130363598) is tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate is COc1ccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is XSVGDLDJZZISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-17(2,3)25-16(22)20-18(4,5)15(21)19-11-12-8-9-13(23-6)10-14(12)24-7/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 130363598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).