(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C24H29N5O3 — CID 34469461

IUPAC(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O
InChIInChI=1S/C24H29N5O3/c1-28(16-17-6-2-5-9-22(17)29-10-12-32-13-11-29)23(30)21(27-24(25)31)14-18-15-26-20-8-4-3-7-19(18)20/h2-9,15,21,26H,10-14,16H2,1H3,(H3,25,27,31)/t21-/m1/s1
InChIKeyHJAICGVAVWHUCN-OAQYLSRUSA-N
MW435.53 g/mol
LogP2.24
Rot. Bonds7

About (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 34469461) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID34469461
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O
InChIInChI=1S/C24H29N5O3/c1-28(16-17-6-2-5-9-22(17)29-10-12-32-13-11-29)23(30)21(27-24(25)31)14-18-15-26-20-8-4-3-7-19(18)20/h2-9,15,21,26H,10-14,16H2,1H3,(H3,25,27,31)/t21-/m1/s1
InChIKeyHJAICGVAVWHUCN-OAQYLSRUSA-N
XLogP2.24
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide with MolForge

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Related Compounds

N-[3-(1H-indol-3-yl)-1-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650442
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135
2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105
2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55359836
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
[1-(2,6-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 17433076
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86966289

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 34469461) is (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is HJAICGVAVWHUCN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-28(16-17-6-2-5-9-22(17)29-10-12-32-13-11-29)23(30)21(27-24(25)31)14-18-15-26-20-8-4-3-7-19(18)20/h2-9,15,21,26H,10-14,16H2,1H3,(H3,25,27,31)/t21-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 435.53 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 34469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).