N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide

C18H29N3O2 — CID 60542879

IUPACN,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C18H29N3O2/c1-6-11-21(13-17(22)19(3)4)14-18(23)20(5)12-16-10-8-7-9-15(16)2/h7-10H,6,11-14H2,1-5H3
InChIKeyZGSQFWXZVUNUKK-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.75
Rot. Bonds8

About N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide

N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide (PubChem CID 60542879) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
PubChem CID60542879
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C18H29N3O2/c1-6-11-21(13-17(22)19(3)4)14-18(23)20(5)12-16-10-8-7-9-15(16)2/h7-10H,6,11-14H2,1-5H3
InChIKeyZGSQFWXZVUNUKK-UHFFFAOYSA-N
XLogP1.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78787410
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 112553556
N-ethyl-2-[ethyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetamide
CID 27075004
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 62822661
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide (CID 60542879) is N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)N(C)C)CC(=O)N(C)Cc1ccccc1C.
What is the InChIKey of N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide?
The InChIKey is ZGSQFWXZVUNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-11-21(13-17(22)19(3)4)14-18(23)20(5)12-16-10-8-7-9-15(16)2/h7-10H,6,11-14H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide?
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 60542879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).