(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide

C16H24N2O2 — CID 82152897

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
SMILESCCCCNC(=O)/C=C\c1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-4-5-10-18-16(19)9-7-13-6-8-15(14(17)11-13)20-12(2)3/h6-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)/b9-7-
InChIKeyBDYORXNOAUDSEN-CLFYSBASSA-N
MW276.38 g/mol
LogP2.99
Rot. Bonds7

About (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide (PubChem CID 82152897) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
PubChem CID82152897
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
SMILESCCCCNC(=O)/C=C\c1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-4-5-10-18-16(19)9-7-13-6-8-15(14(17)11-13)20-12(2)3/h6-9,11-12H,4-5,10,17H2,1-3H3,(H,18,19)/b9-7-
InChIKeyBDYORXNOAUDSEN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 82152908
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 82153796
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-hydroxypropyl)prop-2-enamide
CID 94759660
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(Z)-3-(3-amino-4-methoxyphenyl)-N-[3-(diethylamino)propyl]prop-2-enamide
CID 82152836
(E)-N-butyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 15086373
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide (CID 82152897) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide is CCCCNC(=O)/C=C\c1ccc(OC(C)C)c(N)c1.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide?
The InChIKey is BDYORXNOAUDSEN-CLFYSBASSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-5-10-18-16(19)9-7-13-6-8-15(14(17)11-13)20-12(2)3/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-propan-2-yloxyphenyl)-N-butylprop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-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-propan-2-yloxyphenyl)-N-butylprop-2-enamide is sourced from PubChem (CID 82152897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).