N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide

C24H29N3O3 — CID 46974701

IUPACN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccc2c(c1)c(CC(C)NC(=O)c1ccc(N3CCOCC3)cc1)cn2C
InChIInChI=1S/C24H29N3O3/c1-17(14-19-16-26(2)23-9-8-21(29-3)15-22(19)23)25-24(28)18-4-6-20(7-5-18)27-10-12-30-13-11-27/h4-9,15-17H,10-14H2,1-3H3,(H,25,28)
InChIKeyYDNFIIFDRSECKW-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide

N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 46974701) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
PubChem CID46974701
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccc2c(c1)c(CC(C)NC(=O)c1ccc(N3CCOCC3)cc1)cn2C
InChIInChI=1S/C24H29N3O3/c1-17(14-19-16-26(2)23-9-8-21(29-3)15-22(19)23)25-24(28)18-4-6-20(7-5-18)27-10-12-30-13-11-27/h4-9,15-17H,10-14H2,1-3H3,(H,25,28)
InChIKeyYDNFIIFDRSECKW-UHFFFAOYSA-N
XLogP3.38
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 92628240
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46977857
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
CID 92614108
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 46974700
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
CID 92625926
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-morpholin-4-ylbenzamide
CID 92627391
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide (CID 46974701) is N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide is COc1ccc2c(c1)c(CC(C)NC(=O)c1ccc(N3CCOCC3)cc1)cn2C.
What is the InChIKey of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is YDNFIIFDRSECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(14-19-16-26(2)23-9-8-21(29-3)15-22(19)23)25-24(28)18-4-6-20(7-5-18)27-10-12-30-13-11-27/h4-9,15-17H,10-14H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide?
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 46974701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).