N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

C13H21N3O2 — CID 61425121

IUPACN-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O2/c1-2-7-16(8-9-17)10-13(18)15-12-5-3-11(14)4-6-12/h3-6,17H,2,7-10,14H2,1H3,(H,15,18)
InChIKeyPXKISBIWEPDCLO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.91
Rot. Bonds7

About N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (PubChem CID 61425121) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
PubChem CID61425121
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O2/c1-2-7-16(8-9-17)10-13(18)15-12-5-3-11(14)4-6-12/h3-6,17H,2,7-10,14H2,1H3,(H,15,18)
InChIKeyPXKISBIWEPDCLO-UHFFFAOYSA-N
XLogP0.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.91
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

N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (CID 61425121) is N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is CCCN(CCO)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The InChIKey is PXKISBIWEPDCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-7-16(8-9-17)10-13(18)15-12-5-3-11(14)4-6-12/h3-6,17H,2,7-10,14H2,1H3,(H,15,18).
What are the key properties of N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is sourced from PubChem (CID 61425121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).