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

C17H28N2O2 — CID 107247163

IUPACtert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
SMILESCCCCCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-5-6-9-12-18-15-11-8-7-10-14(15)13-19-16(20)21-17(2,3)4/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,19,20)
InChIKeyDHASDMDBXOSBDU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.31
Rot. Bonds7

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

tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate (PubChem CID 107247163) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
PubChem CID107247163
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
SMILESCCCCCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-5-6-9-12-18-15-11-8-7-10-14(15)13-19-16(20)21-17(2,3)4/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,19,20)
InChIKeyDHASDMDBXOSBDU-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
tert-butyl N-[[2-(2-oxohexyl)phenyl]methyl]carbamate
CID 165353198
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474
tert-butyl N-[[2-[butyl(methylsulfonyl)amino]phenyl]methyl]carbamate
CID 118512508
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate (CID 107247163) is tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate is CCCCCNc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate?
The InChIKey is DHASDMDBXOSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-9-12-18-15-11-8-7-10-14(15)13-19-16(20)21-17(2,3)4/h7-8,10-11,18H,5-6,9,12-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate?
tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107247163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).