tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate

C16H26N2O2 — CID 103892836

IUPACtert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
SMILESCC(C)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-14-9-7-8-13(10-14)11-18(6)15(19)20-16(3,4)5/h7-10,12,17H,11H2,1-6H3
InChIKeyLPTLGUIPDMKBKW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate (PubChem CID 103892836) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
PubChem CID103892836
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
SMILESCC(C)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-14-9-7-8-13(10-14)11-18(6)15(19)20-16(3,4)5/h7-10,12,17H,11H2,1-6H3
InChIKeyLPTLGUIPDMKBKW-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoate
CID 107243030
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936292
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-[[3-(2,2-dimethoxyethylamino)phenyl]methyl]-N-methylcarbamate
CID 107242997
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
CID 107243034
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-[[3-[2-[(4-bromobenzoyl)amino]propanoylamino]phenyl]methyl]-N-methylcarbamate
CID 42959152
tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
CID 55851321
methyl (E)-3-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]prop-2-enoate
CID 20738477
tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 78866397
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate (CID 103892836) is tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate is CC(C)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate?
The InChIKey is LPTLGUIPDMKBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)17-14-9-7-8-13(10-14)11-18(6)15(19)20-16(3,4)5/h7-10,12,17H,11H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 103892836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).