4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide

C15H23N3O2 — CID 114755845

IUPAC4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2(CCO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-17-14(20)11-3-4-12(16)13(9-11)18-10-15(5-6-15)7-8-19/h3-4,9,18-19H,2,5-8,10,16H2,1H3,(H,17,20)
InChIKeyFUVHFINMBFOSPN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds7

About 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide

4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide (PubChem CID 114755845) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
PubChem CID114755845
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2(CCO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-17-14(20)11-3-4-12(16)13(9-11)18-10-15(5-6-15)7-8-19/h3-4,9,18-19H,2,5-8,10,16H2,1H3,(H,17,20)
InChIKeyFUVHFINMBFOSPN-UHFFFAOYSA-N
XLogP1.59
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide 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

4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-amino-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114755919
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide (CID 114755845) is 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCC2(CCO)CC2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide?
The InChIKey is FUVHFINMBFOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17-14(20)11-3-4-12(16)13(9-11)18-10-15(5-6-15)7-8-19/h3-4,9,18-19H,2,5-8,10,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide?
4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide is sourced from PubChem (CID 114755845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).