2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride

C18H31ClN2O — CID 21127305

IUPAC2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NCCc1cc(C(C)C)ccc1C.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-6-20(7-2)13-18(21)19-11-10-17-12-16(14(3)4)9-8-15(17)5;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21);1H
InChIKeyGBGLKZYWSHXDKC-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.54
Rot. Bonds8

About 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride

2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 21127305) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
PubChem CID21127305
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NCCc1cc(C(C)C)ccc1C.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-6-20(7-2)13-18(21)19-11-10-17-12-16(14(3)4)9-8-15(17)5;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21);1H
InChIKeyGBGLKZYWSHXDKC-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
(E)-4-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]but-2-enoic acid
CID 115237295
N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119495228
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158292
diethyl 2-methyl-2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanedioate
CID 599928

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride (CID 21127305) is 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride is CCN(CC)CC(=O)NCCc1cc(C(C)C)ccc1C.Cl.
What is the InChIKey of 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is GBGLKZYWSHXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-6-20(7-2)13-18(21)19-11-10-17-12-16(14(3)4)9-8-15(17)5;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,19,21);1H.
What are the key properties of 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 21127305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).