tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate

C16H26N2O3 — CID 107239913

IUPACtert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
SMILESCCC(COC)Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-6-12(11-20-5)17-13-8-7-9-14(10-13)18-15(19)21-16(2,3)4/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyDXCGIRRYLRDVIL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate

tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate (PubChem CID 107239913) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
PubChem CID107239913
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
SMILESCCC(COC)Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-6-12(11-20-5)17-13-8-7-9-14(10-13)18-15(19)21-16(2,3)4/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyDXCGIRRYLRDVIL-UHFFFAOYSA-N
XLogP3.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
CID 107239959
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoic acid
CID 107239920
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
CID 115918909
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
tert-butyl N-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]carbamate
CID 114058208
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate (CID 107239913) is tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate is CCC(COC)Nc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate?
The InChIKey is DXCGIRRYLRDVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-12(11-20-5)17-13-8-7-9-14(10-13)18-15(19)21-16(2,3)4/h7-10,12,17H,6,11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate?
tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate is sourced from PubChem (CID 107239913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).