N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide

C27H34N4O3 — CID 55970141

IUPACN-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C27H34N4O3/c1-19(2)26(32)30-25(15-22-17-28-24-9-4-3-8-23(22)24)27(33)29-16-20-6-5-7-21(14-20)18-31-10-12-34-13-11-31/h3-9,14,17,19,25,28H,10-13,15-16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBKHYUJIBIXMNHB-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.00
Rot. Bonds9

About N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide

N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 55970141) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID55970141
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C27H34N4O3/c1-19(2)26(32)30-25(15-22-17-28-24-9-4-3-8-23(22)24)27(33)29-16-20-6-5-7-21(14-20)18-31-10-12-34-13-11-31/h3-9,14,17,19,25,28H,10-13,15-16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBKHYUJIBIXMNHB-UHFFFAOYSA-N
XLogP3.00
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[3-(1H-indol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
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N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
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(2R)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
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N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55652089
N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55950440
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
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CID 19074794
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
(2S)-N-[[3-(aminomethyl)phenyl]methyl]-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 101338108
(2R)-2-acetamido-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 39472754
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(3-morpholin-4-ylpropylamino)-1-oxopropan-2-yl]carbamate
CID 10622537
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide (CID 55970141) is N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is BKHYUJIBIXMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-19(2)26(32)30-25(15-22-17-28-24-9-4-3-8-23(22)24)27(33)29-16-20-6-5-7-21(14-20)18-31-10-12-34-13-11-31/h3-9,14,17,19,25,28H,10-13,15-16,18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide?
N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 462.59 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55970141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).