N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide

C12H19N3O3 — CID 61242990

IUPACN-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESNc1ccccc1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H19N3O3/c13-10-3-1-2-4-11(10)14-12(18)9-15(5-7-16)6-8-17/h1-4,16-17H,5-9,13H2,(H,14,18)
InChIKeyFWLTUGWLAVBTLB-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.51
Rot. Bonds7

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

N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide (PubChem CID 61242990) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
PubChem CID61242990
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
SMILESNc1ccccc1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H19N3O3/c13-10-3-1-2-4-11(10)14-12(18)9-15(5-7-16)6-8-17/h1-4,16-17H,5-9,13H2,(H,14,18)
InChIKeyFWLTUGWLAVBTLB-UHFFFAOYSA-N
XLogP-0.51
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
CID 60689127
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide (CID 61242990) is N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide is Nc1ccccc1NC(=O)CN(CCO)CCO.
What is the InChIKey of N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
The InChIKey is FWLTUGWLAVBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-10-3-1-2-4-11(10)14-12(18)9-15(5-7-16)6-8-17/h1-4,16-17H,5-9,13H2,(H,14,18).
What are the key properties of N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide?
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 61242990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).