1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide

C24H28N4O3 — CID 55991087

IUPAC1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-27-17-21(20-7-2-3-8-22(20)27)24(30)25-16-18-5-4-6-19(15-18)26-23(29)9-10-28-11-13-31-14-12-28/h2-8,15,17H,9-14,16H2,1H3,(H,25,30)(H,26,29)
InChIKeyFNUUHCXGAZRIHZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.77
Rot. Bonds7

About 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide

1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide (PubChem CID 55991087) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
PubChem CID55991087
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-27-17-21(20-7-2-3-8-22(20)27)24(30)25-16-18-5-4-6-19(15-18)26-23(29)9-10-28-11-13-31-14-12-28/h2-8,15,17H,9-14,16H2,1H3,(H,25,30)(H,26,29)
InChIKeyFNUUHCXGAZRIHZ-UHFFFAOYSA-N
XLogP2.77
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55888231
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55945184
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide (CID 55991087) is 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide is Cn1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide?
The InChIKey is FNUUHCXGAZRIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-27-17-21(20-7-2-3-8-22(20)27)24(30)25-16-18-5-4-6-19(15-18)26-23(29)9-10-28-11-13-31-14-12-28/h2-8,15,17H,9-14,16H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide?
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 55991087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).