N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide

C19H28N2O3 — CID 59118974

IUPACN-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide
SMILESCC(C)C(=O)CNCC(=O)N(CC(=O)C(C)C)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(22)10-20-11-19(24)21(13-18(23)15(3)4)12-16-8-6-5-7-9-16/h5-9,14-15,20H,10-13H2,1-4H3
InChIKeyDDOVGSPUDBCXMN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.06
Rot. Bonds10

About N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide

N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide (PubChem CID 59118974) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide
PubChem CID59118974
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide
SMILESCC(C)C(=O)CNCC(=O)N(CC(=O)C(C)C)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(22)10-20-11-19(24)21(13-18(23)15(3)4)12-16-8-6-5-7-9-16/h5-9,14-15,20H,10-13H2,1-4H3
InChIKeyDDOVGSPUDBCXMN-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide
CID 142015776
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
CID 119783026
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide?
The IUPAC name of N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide (CID 59118974) is N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide is CC(C)C(=O)CNCC(=O)N(CC(=O)C(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide?
The InChIKey is DDOVGSPUDBCXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)17(22)10-20-11-19(24)21(13-18(23)15(3)4)12-16-8-6-5-7-9-16/h5-9,14-15,20H,10-13H2,1-4H3.
What are the key properties of N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide?
N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide is sourced from PubChem (CID 59118974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).