2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide

C16H25ClN2O — CID 112801140

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-9-19(10-5-2)16(20)12-18-13(3)14-7-6-8-15(17)11-14/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3
InChIKeyQYMMEJHUFDWRBN-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.64
Rot. Bonds8

About 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide

2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide (PubChem CID 112801140) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide
PubChem CID112801140
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-9-19(10-5-2)16(20)12-18-13(3)14-7-6-8-15(17)11-14/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3
InChIKeyQYMMEJHUFDWRBN-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
tert-butyl N-[2-[1-(3-chlorophenyl)ethylamino]ethyl]-N-propylcarbamate
CID 107246027
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81372498
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide (CID 112801140) is 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNC(C)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide?
The InChIKey is QYMMEJHUFDWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-9-19(10-5-2)16(20)12-18-13(3)14-7-6-8-15(17)11-14/h6-8,11,13,18H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide?
2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide has a molecular weight of 296.84 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide is sourced from PubChem (CID 112801140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).