N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane

C18H32N4O3 — CID 144591761

IUPACN-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
SMILESC=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C.CCC
InChIInChI=1S/C15H24N4O3.C3H8/c1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-3-2/h4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);3H2,1-2H3
InChIKeyVLFNSTCVBYKUNM-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.61
Rot. Bonds12

About N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane

N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane (PubChem CID 144591761) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane.

Molecular Properties

Compound NameN-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
PubChem CID144591761
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
SMILESC=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C.CCC
InChIInChI=1S/C15H24N4O3.C3H8/c1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-3-2/h4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);3H2,1-2H3
InChIKeyVLFNSTCVBYKUNM-UHFFFAOYSA-N
XLogP0.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-[2-(prop-2-enoylamino)ethyl]-3-[2-(prop-2-enoylamino)ethyl-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]propanamide
CID 154023788
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-heptadecylprop-2-enamide
CID 20727742

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane?
The IUPAC name of N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane (CID 144591761) is N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane.
What is the SMILES notation for N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane?
The canonical SMILES for N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane is C=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C.CCC.
What is the InChIKey of N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane?
The InChIKey is VLFNSTCVBYKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.C3H8/c1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-3-2/h4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);3H2,1-2H3.
What are the key properties of N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane?
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane has a molecular weight of 352.48 g/mol, XLogP of 0.61, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane is sourced from PubChem (CID 144591761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).