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

C17H28N2O2 — CID 107247162

IUPACtert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
SMILESCC(C)CCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyRUINZLQQALTWIG-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.17
Rot. Bonds6

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

tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate (PubChem CID 107247162) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
PubChem CID107247162
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
SMILESCC(C)CCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyRUINZLQQALTWIG-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
CID 107247163
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate
CID 10293533
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 102159056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate (CID 107247162) is tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate is CC(C)CCNc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate?
The InChIKey is RUINZLQQALTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate?
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107247162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).