2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C27H33N5O4 — CID 55359836

IUPAC2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C27H33N5O4/c1-3-31(18-26(34)30-21-8-10-22(11-9-21)32-12-14-36-15-13-32)27(35)25(29-19(2)33)16-20-17-28-24-7-5-4-6-23(20)24/h4-11,17,25,28H,3,12-16,18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyKZPYRTXXFWRHDE-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.54
Rot. Bonds9

About 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 55359836) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID55359836
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C27H33N5O4/c1-3-31(18-26(34)30-21-8-10-22(11-9-21)32-12-14-36-15-13-32)27(35)25(29-19(2)33)16-20-17-28-24-7-5-4-6-23(20)24/h4-11,17,25,28H,3,12-16,18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyKZPYRTXXFWRHDE-UHFFFAOYSA-N
XLogP2.54
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55620765
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411340
(2R)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 137451312
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
(2R)-2-acetamido-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
CID 41436355
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
CID 52520902
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
CID 86738095
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 55359836) is 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is KZPYRTXXFWRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-3-31(18-26(34)30-21-8-10-22(11-9-21)32-12-14-36-15-13-32)27(35)25(29-19(2)33)16-20-17-28-24-7-5-4-6-23(20)24/h4-11,17,25,28H,3,12-16,18H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 491.59 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55359836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).