N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

C20H27ClN4O5 — CID 110122379

IUPACN-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C20H27ClN4O5/c1-14(26)22-15-3-4-17(16(21)11-15)23-18(27)12-24-5-10-30-20(2,13-24)19(28)25-6-8-29-9-7-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNIVOBBJACZPJKH-UHFFFAOYSA-N
MW438.91 g/mol
LogP1.19
Rot. Bonds5

About N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (PubChem CID 110122379) has the molecular formula C20H27ClN4O5 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
PubChem CID110122379
Molecular FormulaC20H27ClN4O5
Molecular Weight438.91 g/mol
Exact Mass438.17
IUPAC NameN-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C20H27ClN4O5/c1-14(26)22-15-3-4-17(16(21)11-15)23-18(27)12-24-5-10-30-20(2,13-24)19(28)25-6-8-29-9-7-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNIVOBBJACZPJKH-UHFFFAOYSA-N
XLogP1.19
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592349
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124984231
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 110122381
N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 124988688
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (CID 110122379) is N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is CC(=O)Nc1ccc(NC(=O)CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The InChIKey is NIVOBBJACZPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O5/c1-14(26)22-15-3-4-17(16(21)11-15)23-18(27)12-24-5-10-30-20(2,13-24)19(28)25-6-8-29-9-7-25/h3-4,11H,5-10,12-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide has a molecular weight of 438.91 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 110122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).