2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide

C18H30N4O2 — CID 126803798

IUPAC2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
SMILESCC(c1ccccc1)C(CNC(=O)CN(C)C)NC(=O)CN(C)C
InChIInChI=1S/C18H30N4O2/c1-14(15-9-7-6-8-10-15)16(20-18(24)13-22(4)5)11-19-17(23)12-21(2)3/h6-10,14,16H,11-13H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyXPGLFSCGXBDXBC-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.51
Rot. Bonds9

About 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide

2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide (PubChem CID 126803798) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
PubChem CID126803798
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
SMILESCC(c1ccccc1)C(CNC(=O)CN(C)C)NC(=O)CN(C)C
InChIInChI=1S/C18H30N4O2/c1-14(15-9-7-6-8-10-15)16(20-18(24)13-22(4)5)11-19-17(23)12-21(2)3/h6-10,14,16H,11-13H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyXPGLFSCGXBDXBC-UHFFFAOYSA-N
XLogP0.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate
CID 74329592
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 94812038
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide (CID 126803798) is 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide is CC(c1ccccc1)C(CNC(=O)CN(C)C)NC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide?
The InChIKey is XPGLFSCGXBDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(15-9-7-6-8-10-15)16(20-18(24)13-22(4)5)11-19-17(23)12-21(2)3/h6-10,14,16H,11-13H2,1-5H3,(H,19,23)(H,20,24).
What are the key properties of 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide?
2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide is sourced from PubChem (CID 126803798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).