ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate

C15H21ClN2O3 — CID 155559606

IUPACethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-10-3-4-14(19)17-11-9-12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyLOMSDEWEKQMURA-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.53
Rot. Bonds8

About ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate

ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate (PubChem CID 155559606) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
PubChem CID155559606
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Nameethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-10-3-4-14(19)17-11-9-12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyLOMSDEWEKQMURA-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate (CID 155559606) is ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate is CCOC(=O)NCCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate?
The InChIKey is LOMSDEWEKQMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-10-3-4-14(19)17-11-9-12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate?
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate has a molecular weight of 312.80 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate is sourced from PubChem (CID 155559606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).