(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide

C12H25N3O2 — CID 89278683

IUPAC(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide
SMILESCCCCN(C)C(=O)/C(N)=C(\CC)NCCO
InChIInChI=1S/C12H25N3O2/c1-4-6-8-15(3)12(17)11(13)10(5-2)14-7-9-16/h14,16H,4-9,13H2,1-3H3/b11-10-
InChIKeyPJGJDFIRWUZMQW-KHPPLWFESA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds8

About (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide

(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide (PubChem CID 89278683) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide
PubChem CID89278683
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide
SMILESCCCCN(C)C(=O)/C(N)=C(\CC)NCCO
InChIInChI=1S/C12H25N3O2/c1-4-6-8-15(3)12(17)11(13)10(5-2)14-7-9-16/h14,16H,4-9,13H2,1-3H3/b11-10-
InChIKeyPJGJDFIRWUZMQW-KHPPLWFESA-N
XLogP0.41
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide?
The IUPAC name of (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide (CID 89278683) is (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide?
The canonical SMILES for (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide is CCCCN(C)C(=O)/C(N)=C(\CC)NCCO.
What is the InChIKey of (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide?
The InChIKey is PJGJDFIRWUZMQW-KHPPLWFESA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-6-8-15(3)12(17)11(13)10(5-2)14-7-9-16/h14,16H,4-9,13H2,1-3H3/b11-10-.
What are the key properties of (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide?
(Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-N-butyl-3-(2-hydroxyethylamino)-N-methylpent-2-enamide is sourced from PubChem (CID 89278683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).