2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide

C14H25N5O2 — CID 144630094

IUPAC2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
SMILESC=C(C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)CN
InChIInChI=1S/C14H25N5O2/c1-10(2)6-18-13(20)9-17-12(4)7-19-14(21)8-16-11(3)5-15/h16-17H,1,3-9,15H2,2H3,(H,18,20)(H,19,21)
InChIKeyNBRKFXNIKATTPF-UHFFFAOYSA-N
MW295.39 g/mol
LogP-1.04
Rot. Bonds11

About 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide

2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide (PubChem CID 144630094) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
PubChem CID144630094
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
SMILESC=C(C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)CN
InChIInChI=1S/C14H25N5O2/c1-10(2)6-18-13(20)9-17-12(4)7-19-14(21)8-16-11(3)5-15/h16-17H,1,3-9,15H2,2H3,(H,18,20)(H,19,21)
InChIKeyNBRKFXNIKATTPF-UHFFFAOYSA-N
XLogP-1.04
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?
The IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide (CID 144630094) is 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide.
What is the SMILES notation for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?
The canonical SMILES for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide is C=C(C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)CN.
What is the InChIKey of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?
The InChIKey is NBRKFXNIKATTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)6-18-13(20)9-17-12(4)7-19-14(21)8-16-11(3)5-15/h16-17H,1,3-9,15H2,2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide?
2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of -1.04, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide is sourced from PubChem (CID 144630094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).