tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate

C18H28N2O4 — CID 110669082

IUPACtert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1ccccc1C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-18(4,5)12-20(6)15(21)13-10-8-9-11-14(13)23-7/h8-11H,12H2,1-7H3,(H,19,22)
InChIKeyJDNMDRKWBXCWCO-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 110669082) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID110669082
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1ccccc1C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-18(4,5)12-20(6)15(21)13-10-8-9-11-14(13)23-7/h8-11H,12H2,1-7H3,(H,19,22)
InChIKeyJDNMDRKWBXCWCO-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
CID 178112451
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl (E)-4-(2-methoxyphenyl)-4-oxobut-2-enoate
CID 155562899
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
CID 71875972
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[1-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111773523

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate (CID 110669082) is tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate is COc1ccccc1C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is JDNMDRKWBXCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-18(4,5)12-20(6)15(21)13-10-8-9-11-14(13)23-7/h8-11H,12H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 110669082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).