2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide

C12H18ClN3O2 — CID 79473066

IUPAC2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-16(2)11-4-3-9(7-10(11)13)15-12(17)8-18-6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPYOQZAMARPFSOB-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.32
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide

2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide (PubChem CID 79473066) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
PubChem CID79473066
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-16(2)11-4-3-9(7-10(11)13)15-12(17)8-18-6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPYOQZAMARPFSOB-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide (CID 79473066) is 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)COCCN)cc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide?
The InChIKey is PYOQZAMARPFSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16(2)11-4-3-9(7-10(11)13)15-12(17)8-18-6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide?
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide has a molecular weight of 271.75 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 79473066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).