N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride

C13H26ClN3O2 — CID 119691966

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)15-11(17)9-16(4)12(18)8-14-7-10-5-6-10;/h10,14H,5-9H2,1-4H3,(H,15,17);1H
InChIKeySMZGKGURTNXVSP-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride

N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119691966) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
PubChem CID119691966
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)15-11(17)9-16(4)12(18)8-14-7-10-5-6-10;/h10,14H,5-9H2,1-4H3,(H,15,17);1H
InChIKeySMZGKGURTNXVSP-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-N-methylacetamide
CID 61042213
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 9017841
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride (CID 119691966) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride is CN(CC(=O)NC(C)(C)C)C(=O)CNCC1CC1.Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is SMZGKGURTNXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2,3)15-11(17)9-16(4)12(18)8-14-7-10-5-6-10;/h10,14H,5-9H2,1-4H3,(H,15,17);1H.
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119691966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).