(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide

C19H30N2O2 — CID 94760106

IUPAC(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
SMILESCCCCOc1ccc(/C=C\C(=O)N(CC)CCCC)cc1N
InChIInChI=1S/C19H30N2O2/c1-4-7-13-21(6-3)19(22)12-10-16-9-11-18(17(20)15-16)23-14-8-5-2/h9-12,15H,4-8,13-14,20H2,1-3H3/b12-10-
InChIKeySBLDQCCSRQGXAO-BENRWUELSA-N
MW318.46 g/mol
LogP4.11
Rot. Bonds10

About (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide

(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide (PubChem CID 94760106) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
PubChem CID94760106
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
SMILESCCCCOc1ccc(/C=C\C(=O)N(CC)CCCC)cc1N
InChIInChI=1S/C19H30N2O2/c1-4-7-13-21(6-3)19(22)12-10-16-9-11-18(17(20)15-16)23-14-8-5-2/h9-12,15H,4-8,13-14,20H2,1-3H3/b12-10-
InChIKeySBLDQCCSRQGXAO-BENRWUELSA-N
XLogP4.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
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-butoxyphenyl)prop-2-enoic acid
CID 82152619
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
CID 82153524
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
(Z)-3-(3-amino-4-butoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 82153848
(Z)-3-(3-amino-4-butoxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 94760111
3-(4-amino-3-pentoxyphenyl)prop-2-enoic acid
CID 54533769
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide (CID 94760106) is (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide is CCCCOc1ccc(/C=C\C(=O)N(CC)CCCC)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide?
The InChIKey is SBLDQCCSRQGXAO-BENRWUELSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-7-13-21(6-3)19(22)12-10-16-9-11-18(17(20)15-16)23-14-8-5-2/h9-12,15H,4-8,13-14,20H2,1-3H3/b12-10-.
What are the key properties of (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide?
(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide has a molecular weight of 318.46 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide is sourced from PubChem (CID 94760106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).