(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate

C20H26N2O4 — CID 174734765

IUPAC(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate
SMILESCC(C)(C)N(CCOc1cccc(O)c1)C(=O)OCc1cccc(N)c1
InChIInChI=1S/C20H26N2O4/c1-20(2,3)22(10-11-25-18-9-5-8-17(23)13-18)19(24)26-14-15-6-4-7-16(21)12-15/h4-9,12-13,23H,10-11,14,21H2,1-3H3
InChIKeyBLGPHZGKBONSCA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.79
Rot. Bonds6

About (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate

(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate (PubChem CID 174734765) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Name(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate
PubChem CID174734765
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate
SMILESCC(C)(C)N(CCOc1cccc(O)c1)C(=O)OCc1cccc(N)c1
InChIInChI=1S/C20H26N2O4/c1-20(2,3)22(10-11-25-18-9-5-8-17(23)13-18)19(24)26-14-15-6-4-7-16(21)12-15/h4-9,12-13,23H,10-11,14,21H2,1-3H3
InChIKeyBLGPHZGKBONSCA-UHFFFAOYSA-N
XLogP3.79
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 174734747
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate?
The IUPAC name of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate (CID 174734765) is (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate.
What is the SMILES notation for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate?
The canonical SMILES for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate is CC(C)(C)N(CCOc1cccc(O)c1)C(=O)OCc1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate?
The InChIKey is BLGPHZGKBONSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-20(2,3)22(10-11-25-18-9-5-8-17(23)13-18)19(24)26-14-15-6-4-7-16(21)12-15/h4-9,12-13,23H,10-11,14,21H2,1-3H3.
What are the key properties of (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate?
(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 174734765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).