ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate

C17H27N3O4 — CID 108880818

IUPACethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3O4/c1-5-23-17(22)19-11-10-18-16(21)20-13(4)24-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21)
InChIKeyHVVNVKPZEBMKAI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.58
Rot. Bonds8

About ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate

ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate (PubChem CID 108880818) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
PubChem CID108880818
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nameethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3O4/c1-5-23-17(22)19-11-10-18-16(21)20-13(4)24-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21)
InChIKeyHVVNVKPZEBMKAI-UHFFFAOYSA-N
XLogP2.58
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
CID 108880029
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-chloroethyl N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]carbamate
CID 108572823
1-[1-(4-propan-2-ylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108880547
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate (CID 108880818) is ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)NC(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The InChIKey is HVVNVKPZEBMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-23-17(22)19-11-10-18-16(21)20-13(4)24-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21).
What are the key properties of ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate?
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108880818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).