(E)-N,N-dimethyl-4-(propylamino)but-2-enamide

C9H18N2O — CID 156709508

IUPAC(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
SMILESCCCNC/C=C/C(=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-4-7-10-8-5-6-9(12)11(2)3/h5-6,10H,4,7-8H2,1-3H3/b6-5+
InChIKeySYBIRAWBHXWVTN-AATRIKPKSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds5

About (E)-N,N-dimethyl-4-(propylamino)but-2-enamide

(E)-N,N-dimethyl-4-(propylamino)but-2-enamide (PubChem CID 156709508) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-(propylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
PubChem CID156709508
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
SMILESCCCNC/C=C/C(=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-4-7-10-8-5-6-9(12)11(2)3/h5-6,10H,4,7-8H2,1-3H3/b6-5+
InChIKeySYBIRAWBHXWVTN-AATRIKPKSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-(propylamino)but-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-4-(propylamino)but-2-enamide (CID 156709508) is (E)-N,N-dimethyl-4-(propylamino)but-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-4-(propylamino)but-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-4-(propylamino)but-2-enamide is CCCNC/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-4-(propylamino)but-2-enamide?
The InChIKey is SYBIRAWBHXWVTN-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7-10-8-5-6-9(12)11(2)3/h5-6,10H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethyl-4-(propylamino)but-2-enamide?
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-(propylamino)but-2-enamide is sourced from PubChem (CID 156709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).