3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide

C13H20ClN3O — CID 110460305

IUPAC3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O/c1-17(2)12(9-16-13(18)7-8-15)10-3-5-11(14)6-4-10/h3-6,12H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyBJGYAVHZIZXGLD-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.41
Rot. Bonds6

About 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide

3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide (PubChem CID 110460305) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
PubChem CID110460305
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCN)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O/c1-17(2)12(9-16-13(18)7-8-15)10-3-5-11(14)6-4-10/h3-6,12H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyBJGYAVHZIZXGLD-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110621860
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801601
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide (CID 110460305) is 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide is CN(C)C(CNC(=O)CCN)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The InChIKey is BJGYAVHZIZXGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17(2)12(9-16-13(18)7-8-15)10-3-5-11(14)6-4-10/h3-6,12H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide has a molecular weight of 269.78 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 110460305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).