N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide

C19H25N3O4 — CID 70877312

IUPACN-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide
SMILESCCC(=O)NCCCNC(=O)Cc1c(C)n(C=O)c2ccc(OC)cc12
InChIInChI=1S/C19H25N3O4/c1-4-18(24)20-8-5-9-21-19(25)11-15-13(2)22(12-23)17-7-6-14(26-3)10-16(15)17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyFBBPIRHDXNGVDQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.57
Rot. Bonds9

About N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide

N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide (PubChem CID 70877312) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide
PubChem CID70877312
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide
SMILESCCC(=O)NCCCNC(=O)Cc1c(C)n(C=O)c2ccc(OC)cc12
InChIInChI=1S/C19H25N3O4/c1-4-18(24)20-8-5-9-21-19(25)11-15-13(2)22(12-23)17-7-6-14(26-3)10-16(15)17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyFBBPIRHDXNGVDQ-UHFFFAOYSA-N
XLogP1.57
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
1-chloro-4-methylbenzene;N-[(1-formyl-5-methoxy-2-methylindol-3-yl)methyl]formamide
CID 144985194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
CID 67563567
N-[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 71293802
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl selenocyanate
CID 134689877
N-[2-(2-aminoethyldisulfanyl)ethyl]-2-[1-(4-chlorophenyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 89427773
methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
CID 131851971
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide?
The IUPAC name of N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide (CID 70877312) is N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide.
What is the SMILES notation for N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide?
The canonical SMILES for N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide is CCC(=O)NCCCNC(=O)Cc1c(C)n(C=O)c2ccc(OC)cc12.
What is the InChIKey of N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide?
The InChIKey is FBBPIRHDXNGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-18(24)20-8-5-9-21-19(25)11-15-13(2)22(12-23)17-7-6-14(26-3)10-16(15)17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide?
N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-formyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]propyl]propanamide is sourced from PubChem (CID 70877312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).