3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide

C21H36N4O6 — CID 166479274

IUPAC3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
SMILESCCCOCCOC/C(N)=C/N(N)CCOCCOCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H36N4O6/c1-2-9-28-14-15-31-17-18(22)16-25(23)8-11-30-13-12-29-10-7-21(27)24-19-3-5-20(26)6-4-19/h3-6,16,26H,2,7-15,17,22-23H2,1H3,(H,24,27)/b18-16-
InChIKeyYGMRNWVQSKMVEL-VLGSPTGOSA-N
MW440.54 g/mol
LogP1.17
Rot. Bonds18

About 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide

3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide (PubChem CID 166479274) has the molecular formula C21H36N4O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
PubChem CID166479274
Molecular FormulaC21H36N4O6
Molecular Weight440.54 g/mol
Exact Mass440.26
IUPAC Name3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
SMILESCCCOCCOC/C(N)=C/N(N)CCOCCOCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H36N4O6/c1-2-9-28-14-15-31-17-18(22)16-25(23)8-11-30-13-12-29-10-7-21(27)24-19-3-5-20(26)6-4-19/h3-6,16,26H,2,7-15,17,22-23H2,1H3,(H,24,27)/b18-16-
InChIKeyYGMRNWVQSKMVEL-VLGSPTGOSA-N
XLogP1.17
TPSA141.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 166479502
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
1-[amino-[(Z)-2-amino-3-propoxyprop-1-enyl]amino]propan-2-one
CID 142369657
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
2-[amino-[(Z)-2-amino-3-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-enyl]amino]ethylcarbamic acid
CID 172595597
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide (CID 166479274) is 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide is CCCOCCOC/C(N)=C/N(N)CCOCCOCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide?
The InChIKey is YGMRNWVQSKMVEL-VLGSPTGOSA-N. The full InChI is InChI=1S/C21H36N4O6/c1-2-9-28-14-15-31-17-18(22)16-25(23)8-11-30-13-12-29-10-7-21(27)24-19-3-5-20(26)6-4-19/h3-6,16,26H,2,7-15,17,22-23H2,1H3,(H,24,27)/b18-16-.
What are the key properties of 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide?
3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide has a molecular weight of 440.54 g/mol, XLogP of 1.17, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 166479274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).