tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate

C17H28N2O3 — CID 143202067

IUPACtert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
SMILESCCOCCNCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-5-21-11-10-18-12-14-6-8-15(9-7-14)13-19-16(20)22-17(2,3)4/h6-9,18H,5,10-13H2,1-4H3,(H,19,20)
InChIKeyRZOLKUOMFCCMNC-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.84
Rot. Bonds8

About tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate (PubChem CID 143202067) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
PubChem CID143202067
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
SMILESCCOCCNCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-5-21-11-10-18-12-14-6-8-15(9-7-14)13-19-16(20)22-17(2,3)4/h6-9,18H,5,10-13H2,1-4H3,(H,19,20)
InChIKeyRZOLKUOMFCCMNC-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
tert-butyl N-[3-[[4-(ethoxymethyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 37358112
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate (CID 143202067) is tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate is CCOCCNCc1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is RZOLKUOMFCCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-21-11-10-18-12-14-6-8-15(9-7-14)13-19-16(20)22-17(2,3)4/h6-9,18H,5,10-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 143202067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).