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

C14H25N5O3 — CID 178172503

IUPAC2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C
InChIInChI=1S/C14H25N5O3/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21)/b5-4-,16-11+
InChIKeyURYHINWVIDPZOI-GRKCCUCSSA-N
MW311.39 g/mol
LogP-1.33
Rot. Bonds9

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

2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (PubChem CID 178172503) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
PubChem CID178172503
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C
InChIInChI=1S/C14H25N5O3/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21)/b5-4-,16-11+
InChIKeyURYHINWVIDPZOI-GRKCCUCSSA-N
XLogP-1.33
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-1.33
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 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
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
N-methyl-N'-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]oxamide
CID 143043740
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
CID 168920810
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide
CID 178172493
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502
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-[2-(2,3-dihydropyridin-6-yl)ethyl]acetamide
CID 142211705

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?
The IUPAC name of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (CID 178172503) is 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is C/C=C\C(CCN(C)C(=O)CNC(=O)CNC(=O)CN)=N/C.
What is the InChIKey of 2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is URYHINWVIDPZOI-GRKCCUCSSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-4-5-11(16-2)6-7-19(3)14(22)10-18-13(21)9-17-12(20)8-15/h4-5H,6-10,15H2,1-3H3,(H,17,20)(H,18,21)/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?
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of -1.33, 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 is sourced from PubChem (CID 178172503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).