N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide

C21H26ClN3O3 — CID 11741926

IUPACN-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
SMILESCCOc1cc(N)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26ClN3O3/c1-2-27-20-12-18(23)17(22)11-19(20)24-21(26)10-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14,23H2,1H3,(H,24,26)
InChIKeyIGIATIGOCHJDLK-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.55
Rot. Bonds7

About N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide

N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide (PubChem CID 11741926) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
PubChem CID11741926
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide
SMILESCCOc1cc(N)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26ClN3O3/c1-2-27-20-12-18(23)17(22)11-19(20)24-21(26)10-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14,23H2,1H3,(H,24,26)
InChIKeyIGIATIGOCHJDLK-UHFFFAOYSA-N
XLogP3.55
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-[5-chloro-4-(methanesulfonamido)-2-methoxyphenyl]acetamide
CID 10479727
2-(4-benzylmorpholin-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439513
3-[[2-(4-benzylmorpholin-2-yl)acetyl]amino]-4-methylbenzamide
CID 136529335
4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide;hydrate;hydrochloride
CID 21156202
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
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
2-[(2S)-4-benzylmorpholin-2-yl]-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 124614375
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The IUPAC name of N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide (CID 11741926) is N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The canonical SMILES for N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide is CCOc1cc(N)c(Cl)cc1NC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The InChIKey is IGIATIGOCHJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-2-27-20-12-18(23)17(22)11-19(20)24-21(26)10-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14,23H2,1H3,(H,24,26).
What are the key properties of N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide?
N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide has a molecular weight of 403.91 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-ethoxyphenyl)-2-(4-benzylmorpholin-2-yl)acetamide is sourced from PubChem (CID 11741926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).