N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide

C16H20N4O5 — CID 142091069

IUPACN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
SMILESCN(C)C(=O)C(NC(=O)CNC(=O)C(=O)CNC=O)c1ccccc1
InChIInChI=1S/C16H20N4O5/c1-20(2)16(25)14(11-6-4-3-5-7-11)19-13(23)9-18-15(24)12(22)8-17-10-21/h3-7,10,14H,8-9H2,1-2H3,(H,17,21)(H,18,24)(H,19,23)
InChIKeyJQSFIASGXMVRCJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP-1.64
Rot. Bonds9

About N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide

N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide (PubChem CID 142091069) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
PubChem CID142091069
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
SMILESCN(C)C(=O)C(NC(=O)CNC(=O)C(=O)CNC=O)c1ccccc1
InChIInChI=1S/C16H20N4O5/c1-20(2)16(25)14(11-6-4-3-5-7-11)19-13(23)9-18-15(24)12(22)8-17-10-21/h3-7,10,14H,8-9H2,1-2H3,(H,17,21)(H,18,24)(H,19,23)
InChIKeyJQSFIASGXMVRCJ-UHFFFAOYSA-N
XLogP-1.64
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide
CID 142090994
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
CID 143315083
3-formamido-2-oxo-N-(1-phenylethyl)propanamide
CID 142267744
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
CID 95130640
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
CID 58908933
N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 143361931
N-[3-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]-2-[[2-[[2-[3-(3-hydroxypropoxy)-5-methoxyphenyl]acetyl]amino]acetyl]-methylamino]pentanamide
CID 142090829

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide (CID 142091069) is N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide is CN(C)C(=O)C(NC(=O)CNC(=O)C(=O)CNC=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide?
The InChIKey is JQSFIASGXMVRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-20(2)16(25)14(11-6-4-3-5-7-11)19-13(23)9-18-15(24)12(22)8-17-10-21/h3-7,10,14H,8-9H2,1-2H3,(H,17,21)(H,18,24)(H,19,23).
What are the key properties of N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide?
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide has a molecular weight of 348.36 g/mol, XLogP of -1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide is sourced from PubChem (CID 142091069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).