2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

C17H26ClN3O2 — CID 8767844

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)CC(=O)NC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-12(13-7-6-8-14(18)9-13)19-15(22)10-21(5)11-16(23)20-17(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyYHMNVDJIVLPABW-LBPRGKRZSA-N
MW339.87 g/mol
LogP2.36
Rot. Bonds6

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 8767844) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID8767844
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)CC(=O)NC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-12(13-7-6-8-14(18)9-13)19-15(22)10-21(5)11-16(23)20-17(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyYHMNVDJIVLPABW-LBPRGKRZSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 94090708
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18088614
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (CID 8767844) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN(C)CC(=O)NC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is YHMNVDJIVLPABW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-12(13-7-6-8-14(18)9-13)19-15(22)10-21(5)11-16(23)20-17(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 339.87 g/mol, XLogP of 2.36, 6 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-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 8767844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).