2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide

C20H26N2O3 — CID 86897268

IUPAC2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide
SMILESCC(O)CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)22(13-16(3)23)14-20(24)21-17-8-7-11-19(12-17)25-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14H2,1-3H3,(H,21,24)
InChIKeyYDTMMSNQAKGRKA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.51
Rot. Bonds8

About 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide

2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide (PubChem CID 86897268) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide
PubChem CID86897268
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide
SMILESCC(O)CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)22(13-16(3)23)14-20(24)21-17-8-7-11-19(12-17)25-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14H2,1-3H3,(H,21,24)
InChIKeyYDTMMSNQAKGRKA-UHFFFAOYSA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)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

2-[ethyl(2-hydroxyethyl)amino]-N-(3-phenoxyphenyl)acetamide
CID 110881180
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
2-[butyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 60508723
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
2-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 2565865
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 6907348
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide (CID 86897268) is 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide is CC(O)CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C.
What is the InChIKey of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide?
The InChIKey is YDTMMSNQAKGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)22(13-16(3)23)14-20(24)21-17-8-7-11-19(12-17)25-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide?
2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 86897268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).