(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide

C17H26N2O2 — CID 82152955

IUPAC(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)/C=C\c1ccc(OCCC)c(N)c1
InChIInChI=1S/C17H26N2O2/c1-3-5-6-11-19-17(20)10-8-14-7-9-16(15(18)13-14)21-12-4-2/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)/b10-8-
InChIKeyFWWVMTGNKYEMGI-NTMALXAHSA-N
MW290.41 g/mol
LogP3.38
Rot. Bonds9

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

(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide (PubChem CID 82152955) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
PubChem CID82152955
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)/C=C\c1ccc(OCCC)c(N)c1
InChIInChI=1S/C17H26N2O2/c1-3-5-6-11-19-17(20)10-8-14-7-9-16(15(18)13-14)21-12-4-2/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)/b10-8-
InChIKeyFWWVMTGNKYEMGI-NTMALXAHSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.38
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-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897
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-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 94759624
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759712
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
(Z)-3-(3-amino-4-butoxyphenyl)prop-2-enoic acid
CID 82152619

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide (CID 82152955) is (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide is CCCCCNC(=O)/C=C\c1ccc(OCCC)c(N)c1.
What is the InChIKey of (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide?
The InChIKey is FWWVMTGNKYEMGI-NTMALXAHSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-6-11-19-17(20)10-8-14-7-9-16(15(18)13-14)21-12-4-2/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)/b10-8-.
What are the key properties of (Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide?
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 3.38, 9 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-pentylprop-2-enamide is sourced from PubChem (CID 82152955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).