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

C12H20N4O2 — CID 178172509

IUPAC2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
SMILESC=C/N=C(\C=C)CCN(C)C(=O)CNC(=O)CN
InChIInChI=1S/C12H20N4O2/c1-4-10(14-5-2)6-7-16(3)12(18)9-15-11(17)8-13/h4-5H,1-2,6-9,13H2,3H3,(H,15,17)/b14-10+
InChIKeyUVIUUUGMICTCRR-GXDHUFHOSA-N
MW252.32 g/mol
LogP-0.32
Rot. Bonds8

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

2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide (PubChem CID 178172509) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
PubChem CID178172509
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
SMILESC=C/N=C(\C=C)CCN(C)C(=O)CNC(=O)CN
InChIInChI=1S/C12H20N4O2/c1-4-10(14-5-2)6-7-16(3)12(18)9-15-11(17)8-13/h4-5H,1-2,6-9,13H2,3H3,(H,15,17)/b14-10+
InChIKeyUVIUUUGMICTCRR-GXDHUFHOSA-N
XLogP-0.32
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
CID 20711607
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium
CID 59976274
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one;methane
CID 158490253
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;yttrium
CID 158959432
2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide
CID 170585456
7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
CID 170585661
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
CID 20711611
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
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-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide (CID 178172509) is 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide is C=C/N=C(\C=C)CCN(C)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide?
The InChIKey is UVIUUUGMICTCRR-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-10(14-5-2)6-7-16(3)12(18)9-15-11(17)8-13/h4-5H,1-2,6-9,13H2,3H3,(H,15,17)/b14-10+.
What are the key properties of 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 178172509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).