N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide

C18H24N2O4 — CID 89189682

IUPACN-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCN(C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C18H24N2O4/c1-5-15(21)19(16(22)6-2)13-11-9-10-12-14-20(17(23)7-3)18(24)8-4/h5-8H,1-4,9-14H2
InChIKeyKVUUXOVMKAHQAL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.00
Rot. Bonds11

About N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide

N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide (PubChem CID 89189682) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
PubChem CID89189682
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCN(C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C18H24N2O4/c1-5-15(21)19(16(22)6-2)13-11-9-10-12-14-20(17(23)7-3)18(24)8-4/h5-8H,1-4,9-14H2
InChIKeyKVUUXOVMKAHQAL-UHFFFAOYSA-N
XLogP2.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
(2E,4Z,6E)-N-(4-bromobutyl)-N-prop-2-enoylnona-2,4,6,8-tetraenamide
CID 118144851
N-butyl-N-carbamoylprop-2-enamide
CID 22435582
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
[dodecyl(prop-2-enoyl)amino]-trimethylazanium chloride
CID 141049096
6-[formyl(prop-2-enoyl)amino]hexanoyl chloride
CID 143435246
tert-butyl N-[3-[6-aminohexyl(prop-2-enoyl)amino]-3-oxopropyl]carbamate
CID 87193101

Frequently Asked Questions

What is the IUPAC name of N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide (CID 89189682) is N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCCCCCN(C(=O)C=C)C(=O)C=C)C(=O)C=C.
What is the InChIKey of N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide?
The InChIKey is KVUUXOVMKAHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-15(21)19(16(22)6-2)13-11-9-10-12-14-20(17(23)7-3)18(24)8-4/h5-8H,1-4,9-14H2.
What are the key properties of N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide?
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide has a molecular weight of 332.40 g/mol, XLogP of 2.00, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 89189682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).