methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate

C18H19ClN2O4 — CID 60522763

IUPACmethyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJNPQMQAGXAEXPL-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.77
Rot. Bonds6

About methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate

methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate (PubChem CID 60522763) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
PubChem CID60522763
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Namemethyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJNPQMQAGXAEXPL-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate (CID 60522763) is methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate?
The InChIKey is JNPQMQAGXAEXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate?
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate has a molecular weight of 362.81 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 60522763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).