3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide

C21H25N3O3 — CID 136529335

IUPAC3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H25N3O3/c1-15-7-8-17(21(22)26)11-19(15)23-20(25)12-18-14-24(9-10-27-18)13-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyJGPSRYFSOLKYGO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds6

About 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide

3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide (PubChem CID 136529335) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
PubChem CID136529335
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H25N3O3/c1-15-7-8-17(21(22)26)11-19(15)23-20(25)12-18-14-24(9-10-27-18)13-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyJGPSRYFSOLKYGO-UHFFFAOYSA-N
XLogP2.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide 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-(4-benzylmorpholin-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439513
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 11741926
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
CID 10479727
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
2-[(2S)-4-benzylmorpholin-2-yl]-N-[4-(hydroxymethyl)-3-pyridinyl]acetamide
CID 124576318
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide?
The IUPAC name of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide (CID 136529335) is 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide?
The canonical SMILES for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide?
The InChIKey is JGPSRYFSOLKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-7-8-17(21(22)26)11-19(15)23-20(25)12-18-14-24(9-10-27-18)13-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide?
3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide is sourced from PubChem (CID 136529335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).