2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide

C18H28ClN3O2 — CID 86919184

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN3O2/c1-6-15(13-7-9-14(19)10-8-13)20-16(23)11-22(5)12-17(24)21-18(2,3)4/h7-10,15H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyVPCCMZZPNYAIAL-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.75
Rot. Bonds7

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide (PubChem CID 86919184) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
PubChem CID86919184
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN3O2/c1-6-15(13-7-9-14(19)10-8-13)20-16(23)11-22(5)12-17(24)21-18(2,3)4/h7-10,15H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyVPCCMZZPNYAIAL-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
N-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl-methylamino]acetamide
CID 8767484
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 8636937
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9287102
N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9037201
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide (CID 86919184) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide is CCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide?
The InChIKey is VPCCMZZPNYAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-6-15(13-7-9-14(19)10-8-13)20-16(23)11-22(5)12-17(24)21-18(2,3)4/h7-10,15H,6,11-12H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide has a molecular weight of 353.89 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 86919184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).