N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide

C13H21N3O3 — CID 61242810

IUPACN-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N(CCO)CCO
InChIInChI=1S/C13H21N3O3/c1-10(16(6-8-17)7-9-18)13(19)15-12-4-2-11(14)3-5-12/h2-5,10,17-18H,6-9,14H2,1H3,(H,15,19)
InChIKeyUEQCPBJSGHDCFZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.12
Rot. Bonds7

About N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide

N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide (PubChem CID 61242810) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
PubChem CID61242810
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N(CCO)CCO
InChIInChI=1S/C13H21N3O3/c1-10(16(6-8-17)7-9-18)13(19)15-12-4-2-11(14)3-5-12/h2-5,10,17-18H,6-9,14H2,1H3,(H,15,19)
InChIKeyUEQCPBJSGHDCFZ-UHFFFAOYSA-N
XLogP-0.12
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide 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-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479691
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide (CID 61242810) is N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide is CC(C(=O)Nc1ccc(N)cc1)N(CCO)CCO.
What is the InChIKey of N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The InChIKey is UEQCPBJSGHDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(16(6-8-17)7-9-18)13(19)15-12-4-2-11(14)3-5-12/h2-5,10,17-18H,6-9,14H2,1H3,(H,15,19).
What are the key properties of N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide has a molecular weight of 267.33 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 61242810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).