N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide

C12H17N3O3 — CID 107229543

IUPACN-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide
SMILESNCCNC(=O)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H17N3O3/c13-5-6-14-11(17)12(18)15-7-9-1-3-10(8-16)4-2-9/h1-4,16H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyRUJXLMBKJDGVQR-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.13
Rot. Bonds5

About N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide

N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide (PubChem CID 107229543) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide
PubChem CID107229543
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide
SMILESNCCNC(=O)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H17N3O3/c13-5-6-14-11(17)12(18)15-7-9-1-3-10(8-16)4-2-9/h1-4,16H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyRUJXLMBKJDGVQR-UHFFFAOYSA-N
XLogP-1.13
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N'-[[3-(hydroxymethyl)phenyl]methyl]oxamide
CID 107211780
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235648
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide (CID 107229543) is N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide is NCCNC(=O)C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide?
The InChIKey is RUJXLMBKJDGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-5-6-14-11(17)12(18)15-7-9-1-3-10(8-16)4-2-9/h1-4,16H,5-8,13H2,(H,14,17)(H,15,18).
What are the key properties of N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide?
N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide has a molecular weight of 251.29 g/mol, XLogP of -1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide is sourced from PubChem (CID 107229543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).