2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide

C23H23N3O3 — CID 139700946

IUPAC2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide
SMILESCCC(c1ccc(Oc2ccc(N)cc2)cc1)c1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C23H23N3O3/c1-2-19(21-13-15(22(25)27)5-12-20(21)23(26)28)14-3-8-17(9-4-14)29-18-10-6-16(24)7-11-18/h3-13,19H,2,24H2,1H3,(H2,25,27)(H2,26,28)
InChIKeyWONPMPZXKVVWGE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.80
Rot. Bonds7

About 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide

2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide (PubChem CID 139700946) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide
PubChem CID139700946
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide
SMILESCCC(c1ccc(Oc2ccc(N)cc2)cc1)c1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C23H23N3O3/c1-2-19(21-13-15(22(25)27)5-12-20(21)23(26)28)14-3-8-17(9-4-14)29-18-10-6-16(24)7-11-18/h3-13,19H,2,24H2,1H3,(H2,25,27)(H2,26,28)
InChIKeyWONPMPZXKVVWGE-UHFFFAOYSA-N
XLogP3.80
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-butan-2-ylphenoxy)benzamide
CID 107663745
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507
4-(4-carbamoylphenoxy)benzamide
CID 156597124
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide (CID 139700946) is 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide is CCC(c1ccc(Oc2ccc(N)cc2)cc1)c1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide?
The InChIKey is WONPMPZXKVVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-19(21-13-15(22(25)27)5-12-20(21)23(26)28)14-3-8-17(9-4-14)29-18-10-6-16(24)7-11-18/h3-13,19H,2,24H2,1H3,(H2,25,27)(H2,26,28).
What are the key properties of 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide?
2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 139700946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).