(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide

C16H24N2O2 — CID 82354335

IUPAC(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1
InChIInChI=1S/C16H24N2O2/c1-3-11-20-15-8-5-13(6-9-15)7-10-16(19)18-14(4-2)12-17/h5-10,14H,3-4,11-12,17H2,1-2H3,(H,18,19)/b10-7+
InChIKeyVPUKSMIJLUGSQM-JXMROGBWSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds8

About (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 82354335) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID82354335
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1
InChIInChI=1S/C16H24N2O2/c1-3-11-20-15-8-5-13(6-9-15)7-10-16(19)18-14(4-2)12-17/h5-10,14H,3-4,11-12,17H2,1-2H3,(H,18,19)/b10-7+
InChIKeyVPUKSMIJLUGSQM-JXMROGBWSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 82354337
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
(E)-N-(1-aminobutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 82354320
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
methyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]propanoate
CID 76872215
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide (CID 82354335) is (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1.
What is the InChIKey of (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is VPUKSMIJLUGSQM-JXMROGBWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11-20-15-8-5-13(6-9-15)7-10-16(19)18-14(4-2)12-17/h5-10,14H,3-4,11-12,17H2,1-2H3,(H,18,19)/b10-7+.
What are the key properties of (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 82354335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).