N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide

C17H27N3O2 — CID 47030852

IUPACN-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide
SMILESCNC(=O)CN(CC(=O)NC)CC(c1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)15(14-8-6-5-7-9-14)10-20(11-16(21)18-3)12-17(22)19-4/h5-9,13,15H,10-12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyFHKHXLWXAAGHTO-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.22
Rot. Bonds8

About N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide

N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide (PubChem CID 47030852) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide
PubChem CID47030852
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide
SMILESCNC(=O)CN(CC(=O)NC)CC(c1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)15(14-8-6-5-7-9-14)10-20(11-16(21)18-3)12-17(22)19-4/h5-9,13,15H,10-12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyFHKHXLWXAAGHTO-UHFFFAOYSA-N
XLogP1.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
4-methyl-3-phenylpentanoic acid
CID 3249521
N-methyl-4,4-diphenylbutanamide
CID 125470248
2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
N-methyl-3,3-diphenylpropanamide
CID 3373592
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
4-methyl-3-phenylpentanamide
CID 66616845
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82330085
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide?
The IUPAC name of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide (CID 47030852) is N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide is CNC(=O)CN(CC(=O)NC)CC(c1ccccc1)C(C)C.
What is the InChIKey of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide?
The InChIKey is FHKHXLWXAAGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)15(14-8-6-5-7-9-14)10-20(11-16(21)18-3)12-17(22)19-4/h5-9,13,15H,10-12H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide?
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide is sourced from PubChem (CID 47030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).