2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide

C22H30N4O3 — CID 142090994

IUPAC2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide
SMILESCCC=C(CNC(=O)C(CNC=O)=C1CC1)NC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C22H30N4O3/c1-4-8-18(13-24-21(28)19(14-23-15-27)16-11-12-16)25-20(22(29)26(2)3)17-9-6-5-7-10-17/h5-10,15,20,25H,4,11-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYZHBEEDYZTYWMR-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.65
Rot. Bonds11

About 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide

2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide (PubChem CID 142090994) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide.

Molecular Properties

Compound Name2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide
PubChem CID142090994
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide
SMILESCCC=C(CNC(=O)C(CNC=O)=C1CC1)NC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C22H30N4O3/c1-4-8-18(13-24-21(28)19(14-23-15-27)16-11-12-16)25-20(22(29)26(2)3)17-9-6-5-7-10-17/h5-10,15,20,25H,4,11-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYZHBEEDYZTYWMR-UHFFFAOYSA-N
XLogP1.65
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide with MolForge

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Related Compounds

N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
CID 142091069
2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
(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
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
(2S)-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 99853132
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
tert-butyl 2-[[(E)-1-[2-(1-formamidoethyl)pentanoylamino]pent-2-en-2-yl]amino]-2-phenylacetate
CID 142091261
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
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide?
The IUPAC name of 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide (CID 142090994) is 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide.
What is the SMILES notation for 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide?
The canonical SMILES for 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide is CCC=C(CNC(=O)C(CNC=O)=C1CC1)NC(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide?
The InChIKey is YZHBEEDYZTYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-8-18(13-24-21(28)19(14-23-15-27)16-11-12-16)25-20(22(29)26(2)3)17-9-6-5-7-10-17/h5-10,15,20,25H,4,11-14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide?
2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide has a molecular weight of 398.51 g/mol, XLogP of 1.65, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylidene-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]pent-2-enyl]-3-formamidopropanamide is sourced from PubChem (CID 142090994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).