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

C15H22N2O3 — CID 82153464

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)N(C)CCO)cc1N
InChIInChI=1S/C15H22N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4-7,10-11,18H,8-9,16H2,1-3H3/b7-5-
InChIKeyRONYDIAHCUZMQD-ALCCZGGFSA-N
MW278.35 g/mol
LogP1.52
Rot. Bonds6

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

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide (PubChem CID 82153464) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
PubChem CID82153464
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)N(C)CCO)cc1N
InChIInChI=1S/C15H22N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4-7,10-11,18H,8-9,16H2,1-3H3/b7-5-
InChIKeyRONYDIAHCUZMQD-ALCCZGGFSA-N
XLogP1.52
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
CID 82153524
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(azepan-1-yl)prop-2-en-1-one
CID 82153453
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(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-(4-fluorophenyl)prop-2-enamide
CID 94760334
4-[3,4-di(propan-2-yloxy)phenyl]but-3-en-2-one
CID 86063016
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
4-[methyl-[3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 91943223

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide (CID 82153464) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide is CC(C)Oc1ccc(/C=C\C(=O)N(C)CCO)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The InChIKey is RONYDIAHCUZMQD-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-14-6-4-12(10-13(14)16)5-7-15(19)17(3)8-9-18/h4-7,10-11,18H,8-9,16H2,1-3H3/b7-5-.
What are the key properties of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide has a molecular weight of 278.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 82153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).