2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide

C15H23N3O2 — CID 65163169

IUPAC2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide
SMILESNC(=O)CN(CCC1CCCO1)Cc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c16-13-4-1-3-12(9-13)10-18(11-15(17)19)7-6-14-5-2-8-20-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H2,17,19)
InChIKeyMJPKWCRIZZNCMX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.13
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide

2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide (PubChem CID 65163169) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide
PubChem CID65163169
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide
SMILESNC(=O)CN(CCC1CCCO1)Cc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c16-13-4-1-3-12(9-13)10-18(11-15(17)19)7-6-14-5-2-8-20-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H2,17,19)
InChIKeyMJPKWCRIZZNCMX-UHFFFAOYSA-N
XLogP1.13
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide 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

3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
CID 65157552
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide (CID 65163169) is 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide is NC(=O)CN(CCC1CCCO1)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide?
The InChIKey is MJPKWCRIZZNCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-13-4-1-3-12(9-13)10-18(11-15(17)19)7-6-14-5-2-8-20-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H2,17,19).
What are the key properties of 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide?
2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 65163169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).