2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide

C26H27N3O3 — CID 69337127

IUPAC2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
SMILESNCc1cccc(OC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c27-18-19-7-6-10-23(17-19)32-25(20-8-2-1-3-9-20)26(31)28-21-12-14-22(15-13-21)29-16-5-4-11-24(29)30/h1-3,6-10,12-15,17,25H,4-5,11,16,18,27H2,(H,28,31)
InChIKeyBDWZYLGOVLQYSA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.42
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide

2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 69337127) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
PubChem CID69337127
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
SMILESNCc1cccc(OC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c27-18-19-7-6-10-23(17-19)32-25(20-8-2-1-3-9-20)26(31)28-21-12-14-22(15-13-21)29-16-5-4-11-24(29)30/h1-3,6-10,12-15,17,25H,4-5,11,16,18,27H2,(H,28,31)
InChIKeyBDWZYLGOVLQYSA-UHFFFAOYSA-N
XLogP4.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide 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

(2R)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 51956530
(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124637563
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659550
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659070
2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337429
2-(3-carbamimidoylphenoxy)-N-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337970
2-[3-(N'-hydroxycarbamimidoyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 91444985
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2S)-2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 28632081
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
CID 34192223
2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 69337781

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide (CID 69337127) is 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide is NCc1cccc(OC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is BDWZYLGOVLQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-18-19-7-6-10-23(17-19)32-25(20-8-2-1-3-9-20)26(31)28-21-12-14-22(15-13-21)29-16-5-4-11-24(29)30/h1-3,6-10,12-15,17,25H,4-5,11,16,18,27H2,(H,28,31).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide?
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 69337127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).