4,5-diamino-N-(4-phenoxyphenyl)pentanamide

C17H21N3O2 — CID 74349728

IUPAC4,5-diamino-N-(4-phenoxyphenyl)pentanamide
SMILESNCC(N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21)
InChIKeyYUSYHJFOQGXULG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds7

About 4,5-diamino-N-(4-phenoxyphenyl)pentanamide

4,5-diamino-N-(4-phenoxyphenyl)pentanamide (PubChem CID 74349728) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4,5-diamino-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name4,5-diamino-N-(4-phenoxyphenyl)pentanamide
PubChem CID74349728
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4,5-diamino-N-(4-phenoxyphenyl)pentanamide
SMILESNCC(N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21)
InChIKeyYUSYHJFOQGXULG-UHFFFAOYSA-N
XLogP2.48
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
CID 74349721
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
[7-oxo-7-(4-phenoxyanilino)heptyl]boronic acid
CID 42637224
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of 4,5-diamino-N-(4-phenoxyphenyl)pentanamide (CID 74349728) is 4,5-diamino-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for 4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for 4,5-diamino-N-(4-phenoxyphenyl)pentanamide is NCC(N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is YUSYHJFOQGXULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-12-13(19)6-11-17(21)20-14-7-9-16(10-8-14)22-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18-19H2,(H,20,21).
What are the key properties of 4,5-diamino-N-(4-phenoxyphenyl)pentanamide?
4,5-diamino-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 74349728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).