(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide

C19H25N3O3 — CID 97329393

IUPAC(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOC[C@H]1C(=O)Nc1ccc2c(ccn2CC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)11-21-7-6-15-10-16(4-5-17(15)21)20-19(24)18-12-25-9-8-22(18)14(3)23/h4-7,10,13,18H,8-9,11-12H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyFZVPHFDAMOPQRE-SFHVURJKSA-N
MW343.43 g/mol
LogP2.48
Rot. Bonds4

About (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide

(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide (PubChem CID 97329393) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
PubChem CID97329393
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOC[C@H]1C(=O)Nc1ccc2c(ccn2CC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)11-21-7-6-15-10-16(4-5-17(15)21)20-19(24)18-12-25-9-8-22(18)14(3)23/h4-7,10,13,18H,8-9,11-12H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyFZVPHFDAMOPQRE-SFHVURJKSA-N
XLogP2.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide 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-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 120940198
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
CID 97244740
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
4-(aminomethyl)-N-[1-(2-methylpropyl)indol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940199
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681

Frequently Asked Questions

What is the IUPAC name of (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide (CID 97329393) is (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide is CC(=O)N1CCOC[C@H]1C(=O)Nc1ccc2c(ccn2CC(C)C)c1.
What is the InChIKey of (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
The InChIKey is FZVPHFDAMOPQRE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)11-21-7-6-15-10-16(4-5-17(15)21)20-19(24)18-12-25-9-8-22(18)14(3)23/h4-7,10,13,18H,8-9,11-12H2,1-3H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide?
(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide is sourced from PubChem (CID 97329393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).