4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide

C18H23N3O2 — CID 3026991

IUPAC4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
SMILESNc1ccc(OCCCCCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H23N3O2/c19-15-6-4-14(5-7-15)18(22)21-12-2-1-3-13-23-17-10-8-16(20)9-11-17/h4-11H,1-3,12-13,19-20H2,(H,21,22)
InChIKeyIZPIRESQSHBFOF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.83
Rot. Bonds8

About 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide

4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide (PubChem CID 3026991) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
PubChem CID3026991
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
SMILESNc1ccc(OCCCCCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H23N3O2/c19-15-6-4-14(5-7-15)18(22)21-12-2-1-3-13-23-17-10-8-16(20)9-11-17/h4-11H,1-3,12-13,19-20H2,(H,21,22)
InChIKeyIZPIRESQSHBFOF-UHFFFAOYSA-N
XLogP2.83
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
N-butyl-4-propoxybenzamide
CID 17142951
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
[4-[5-[4-(4-aminobenzoyl)oxyphenoxy]pentoxy]phenyl] 4-aminobenzoate
CID 144631711
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
N-decyl-4-ethoxybenzamide
CID 4123784
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide?
The IUPAC name of 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide (CID 3026991) is 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide.
What is the SMILES notation for 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide?
The canonical SMILES for 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide is Nc1ccc(OCCCCCNC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide?
The InChIKey is IZPIRESQSHBFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-15-6-4-14(5-7-15)18(22)21-12-2-1-3-13-23-17-10-8-16(20)9-11-17/h4-11H,1-3,12-13,19-20H2,(H,21,22).
What are the key properties of 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide?
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide is sourced from PubChem (CID 3026991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).