(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide

C16H24N2O2 — CID 82152945

IUPAC(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)NC(C)CC)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-10-20-15-8-6-13(11-14(15)17)7-9-16(19)18-12(3)5-2/h6-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)/b9-7-
InChIKeyCLBXLJZKHYAAJL-CLFYSBASSA-N
MW276.38 g/mol
LogP2.99
Rot. Bonds7

About (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide

(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide (PubChem CID 82152945) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
PubChem CID82152945
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)NC(C)CC)cc1N
InChIInChI=1S/C16H24N2O2/c1-4-10-20-15-8-6-13(11-14(15)17)7-9-16(19)18-12(3)5-2/h6-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)/b9-7-
InChIKeyCLBXLJZKHYAAJL-CLFYSBASSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4-methylphenyl)-N-butan-2-ylprop-2-enamide
CID 82044068
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 94759624
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide (CID 82152945) is (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide is CCCOc1ccc(/C=C\C(=O)NC(C)CC)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide?
The InChIKey is CLBXLJZKHYAAJL-CLFYSBASSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-10-20-15-8-6-13(11-14(15)17)7-9-16(19)18-12(3)5-2/h6-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)/b9-7-.
What are the key properties of (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide?
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide is sourced from PubChem (CID 82152945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).