3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

C13H20Cl2N2O3 — CID 119302410

IUPAC3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)CCN.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-2-18-8-9-19-13-10(14)4-3-5-11(13)16-12(17)6-7-15;/h3-5H,2,6-9,15H2,1H3,(H,16,17);1H
InChIKeyUEFRMADQTBVDGX-UHFFFAOYSA-N
MW323.22 g/mol
LogP2.46
Rot. Bonds8

About 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119302410) has the molecular formula C13H20Cl2N2O3 and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
PubChem CID119302410
Molecular FormulaC13H20Cl2N2O3
Molecular Weight323.22 g/mol
Exact Mass322.09
IUPAC Name3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)CCN.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-2-18-8-9-19-13-10(14)4-3-5-11(13)16-12(17)6-7-15;/h3-5H,2,6-9,15H2,1H3,(H,16,17);1H
InChIKeyUEFRMADQTBVDGX-UHFFFAOYSA-N
XLogP2.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (CID 119302410) is 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is CCOCCOc1c(Cl)cccc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is UEFRMADQTBVDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3.ClH/c1-2-18-8-9-19-13-10(14)4-3-5-11(13)16-12(17)6-7-15;/h3-5H,2,6-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 323.22 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119302410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).