2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate

C13H20N2O3 — CID 61031617

IUPAC2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
SMILESCC(C)COC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-10(2)9-18-13(16)15-7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyDJMKWGDNROOVQW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.03
Rot. Bonds6

About 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate

2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate (PubChem CID 61031617) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
PubChem CID61031617
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
SMILESCC(C)COC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-10(2)9-18-13(16)15-7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyDJMKWGDNROOVQW-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-[2-(4-bromo-3-methylphenoxy)ethyl]carbamate
CID 91579496
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
methyl 5-[2-(2-methylpropoxycarbonylamino)ethoxy]-2-prop-2-enoxybenzoate
CID 70074586
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate (CID 61031617) is 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate is CC(C)COC(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate?
The InChIKey is DJMKWGDNROOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)9-18-13(16)15-7-8-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate?
2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate is sourced from PubChem (CID 61031617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).