3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C25H32N4O5 — CID 55379448

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCOc1ccc(C(CC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(C)=O)cc1
InChIInChI=1S/C25H32N4O5/c1-18(30)26-23(19-4-10-22(33-3)11-5-19)16-25(32)28(2)17-24(31)27-20-6-8-21(9-7-20)29-12-14-34-15-13-29/h4-11,23H,12-17H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyWFDYHFYFWZFUBQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.20
Rot. Bonds9

About 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 55379448) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID55379448
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCOc1ccc(C(CC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(C)=O)cc1
InChIInChI=1S/C25H32N4O5/c1-18(30)26-23(19-4-10-22(33-3)11-5-19)16-25(32)28(2)17-24(31)27-20-6-8-21(9-7-20)29-12-14-34-15-13-29/h4-11,23H,12-17H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyWFDYHFYFWZFUBQ-UHFFFAOYSA-N
XLogP2.20
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 26729871
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 55413486
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 55379448) is 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is COc1ccc(C(CC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is WFDYHFYFWZFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-18(30)26-23(19-4-10-22(33-3)11-5-19)16-25(32)28(2)17-24(31)27-20-6-8-21(9-7-20)29-12-14-34-15-13-29/h4-11,23H,12-17H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 468.55 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55379448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).