4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide

C14H21ClN2O4 — CID 120590484

IUPAC4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-7-21-14-11(15)4-3-5-12(14)17-13(18)8-10(9-16)20-2/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyTWPPNPMDAGBWNA-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.67
Rot. Bonds9

About 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide

4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide (PubChem CID 120590484) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
PubChem CID120590484
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H21ClN2O4/c1-19-6-7-21-14-11(15)4-3-5-12(14)17-13(18)8-10(9-16)20-2/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyTWPPNPMDAGBWNA-UHFFFAOYSA-N
XLogP1.67
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47081676
3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119753562
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide (CID 120590484) is 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide is COCCOc1c(Cl)cccc1NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide?
The InChIKey is TWPPNPMDAGBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-19-6-7-21-14-11(15)4-3-5-12(14)17-13(18)8-10(9-16)20-2/h3-5,10H,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide?
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide has a molecular weight of 316.79 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120590484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).