2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide

C16H25ClN2O — CID 79810224

IUPAC2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-16(18,6-2)15(20)19-14(11(3)4)12-7-9-13(17)10-8-12/h7-11,14H,5-6,18H2,1-4H3,(H,19,20)
InChIKeyLCQUDXCTNYIEGO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.67
Rot. Bonds6

About 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide

2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide (PubChem CID 79810224) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
PubChem CID79810224
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-16(18,6-2)15(20)19-14(11(3)4)12-7-9-13(17)10-8-12/h7-11,14H,5-6,18H2,1-4H3,(H,19,20)
InChIKeyLCQUDXCTNYIEGO-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 46486322
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide (CID 79810224) is 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide?
The InChIKey is LCQUDXCTNYIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-16(18,6-2)15(20)19-14(11(3)4)12-7-9-13(17)10-8-12/h7-11,14H,5-6,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide?
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide has a molecular weight of 296.84 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide is sourced from PubChem (CID 79810224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).