2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide

C17H25N3O2 — CID 34557487

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccccc2)CC1)CC(=O)N(C)C
InChIInChI=1S/C17H25N3O2/c1-19(2)16(22)12-20(3)11-15(21)18-13-17(9-10-17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,21)
InChIKeyRDGVKVCVJUMRQE-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.85
Rot. Bonds7

About 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 34557487) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID34557487
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccccc2)CC1)CC(=O)N(C)C
InChIInChI=1S/C17H25N3O2/c1-19(2)16(22)12-20(3)11-15(21)18-13-17(9-10-17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,21)
InChIKeyRDGVKVCVJUMRQE-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 47545886
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
N-(benzylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18196365
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 34557487) is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide is CN(CC(=O)NCC1(c2ccccc2)CC1)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is RDGVKVCVJUMRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)16(22)12-20(3)11-15(21)18-13-17(9-10-17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 34557487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).