[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate

C18H19ClN2O4 — CID 158557120

IUPAC[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
SMILESCC(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)ON(C)C(N)=O
InChIInChI=1S/C18H19ClN2O4/c1-12(17(22)25-21(2)18(20)23)24-16-9-5-14(6-10-16)11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H2,20,23)
InChIKeyHQKVKQPCOXMYLS-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.17
Rot. Bonds5

About [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate

[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate (PubChem CID 158557120) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate.

Molecular Properties

Compound Name[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
PubChem CID158557120
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
SMILESCC(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)ON(C)C(N)=O
InChIInChI=1S/C18H19ClN2O4/c1-12(17(22)25-21(2)18(20)23)24-16-9-5-14(6-10-16)11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H2,20,23)
InChIKeyHQKVKQPCOXMYLS-UHFFFAOYSA-N
XLogP3.17
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595
2-(4-chlorophenoxy)propanoate
CID 4556388
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
methane;sulfonylmethyl 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 88741989
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092

Frequently Asked Questions

What is the IUPAC name of [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The IUPAC name of [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate (CID 158557120) is [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate.
What is the SMILES notation for [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The canonical SMILES for [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate is CC(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)ON(C)C(N)=O.
What is the InChIKey of [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
The InChIKey is HQKVKQPCOXMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12(17(22)25-21(2)18(20)23)24-16-9-5-14(6-10-16)11-13-3-7-15(19)8-4-13/h3-10,12H,11H2,1-2H3,(H2,20,23).
What are the key properties of [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate?
[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate has a molecular weight of 362.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate is sourced from PubChem (CID 158557120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).