2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide

C12H17ClN2O2 — CID 62540328

IUPAC2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
SMILESCOCCNC(C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-12(11(14)16,15-7-8-17-2)9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyLNYCYHLLBBFNIL-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.28
Rot. Bonds6

About 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide

2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide (PubChem CID 62540328) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
PubChem CID62540328
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
SMILESCOCCNC(C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-12(11(14)16,15-7-8-17-2)9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyLNYCYHLLBBFNIL-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
CID 62541894
2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-(4-bromophenyl)-2-(propylamino)propanamide
CID 60795515
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide (CID 62540328) is 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide is COCCNC(C)(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide?
The InChIKey is LNYCYHLLBBFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(11(14)16,15-7-8-17-2)9-3-5-10(13)6-4-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide?
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide is sourced from PubChem (CID 62540328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).