(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide

C18H20ClN3O3 — CID 8774164

IUPAC(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](NCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClN3O3/c1-20-18(24)22-17(23)16(13-5-3-2-4-6-13)21-11-12-25-15-9-7-14(19)8-10-15/h2-10,16,21H,11-12H2,1H3,(H2,20,22,23,24)/t16-/m1/s1
InChIKeyNAMYJUAGYVQQHV-MRXNPFEDSA-N
MW361.83 g/mol
LogP2.51
Rot. Bonds7

About (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide

(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 8774164) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID8774164
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](NCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClN3O3/c1-20-18(24)22-17(23)16(13-5-3-2-4-6-13)21-11-12-25-15-9-7-14(19)8-10-15/h2-10,16,21H,11-12H2,1H3,(H2,20,22,23,24)/t16-/m1/s1
InChIKeyNAMYJUAGYVQQHV-MRXNPFEDSA-N
XLogP2.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
CID 33475459
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504
(2S)-N-(methylcarbamoyl)-2-[(2-methylphenyl)methylamino]-2-phenylacetamide
CID 9357523
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
CID 7833216
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 78801175
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 8774164) is (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](NCCOc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is NAMYJUAGYVQQHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-20-18(24)22-17(23)16(13-5-3-2-4-6-13)21-11-12-25-15-9-7-14(19)8-10-15/h2-10,16,21H,11-12H2,1H3,(H2,20,22,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 361.83 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8774164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).