2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane

C16H31N5O3 — CID 178172502

IUPAC2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
SMILESC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C.CC
InChIInChI=1S/C14H25N5O3.C2H6/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15;1-2/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21);1-2H3/b5-4-,16-11+;
InChIKeyCLOMIEQHEUOYED-PQFBPZOOSA-N
MW341.46 g/mol
LogP-0.30
Rot. Bonds9

About 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane

2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane (PubChem CID 178172502) has the molecular formula C16H31N5O3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane.

Molecular Properties

Compound Name2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
PubChem CID178172502
Molecular FormulaC16H31N5O3
Molecular Weight341.46 g/mol
Exact Mass341.24
IUPAC Name2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
SMILESC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C.CC
InChIInChI=1S/C14H25N5O3.C2H6/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15;1-2/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21);1-2H3/b5-4-,16-11+;
InChIKeyCLOMIEQHEUOYED-PQFBPZOOSA-N
XLogP-0.30
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane with MolForge

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Related Compounds

N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287441
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide
CID 123585481
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide
CID 143043740
3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
CID 168920810
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
CID 178172509
2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide
CID 178172512
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
CID 178172696
N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide
CID 143997780
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 178172503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane?
The IUPAC name of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane (CID 178172502) is 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane.
What is the SMILES notation for 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane?
The canonical SMILES for 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane is C/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C.CC.
What is the InChIKey of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane?
The InChIKey is CLOMIEQHEUOYED-PQFBPZOOSA-N. The full InChI is InChI=1S/C14H25N5O3.C2H6/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15;1-2/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21);1-2H3/b5-4-,16-11+;.
What are the key properties of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane?
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane has a molecular weight of 341.46 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane is sourced from PubChem (CID 178172502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).