ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate

C14H20N2O4 — CID 47413009

IUPACethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)COC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-4-19-14(18)16-12-7-5-11(6-8-12)15-13(17)9-20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJBDVOXUHQJFSRF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.62
Rot. Bonds6

About ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate

ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate (PubChem CID 47413009) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
PubChem CID47413009
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)COC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-4-19-14(18)16-12-7-5-11(6-8-12)15-13(17)9-20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJBDVOXUHQJFSRF-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
CID 60853812
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate (CID 47413009) is ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)COC(C)C)cc1.
What is the InChIKey of ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate?
The InChIKey is JBDVOXUHQJFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-19-14(18)16-12-7-5-11(6-8-12)15-13(17)9-20-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate?
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate is sourced from PubChem (CID 47413009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).