N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

C20H31N5O2 — CID 118109462

IUPACN-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCCCCCNC=O
InChIInChI=1S/C20H31N5O2/c1-21-24(2)15-18-14-17-8-4-5-9-19(17)25(18)13-10-20(27)23-12-7-3-6-11-22-16-26/h4-5,8-9,14,16,21H,3,6-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyFSNPBEDITKAMHC-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.63
Rot. Bonds13

About N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (PubChem CID 118109462) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
PubChem CID118109462
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCCCCCNC=O
InChIInChI=1S/C20H31N5O2/c1-21-24(2)15-18-14-17-8-4-5-9-19(17)25(18)13-10-20(27)23-12-7-3-6-11-22-16-26/h4-5,8-9,14,16,21H,3,6-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyFSNPBEDITKAMHC-UHFFFAOYSA-N
XLogP1.63
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]butan-2-one
CID 177057739
3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoic acid
CID 86718979
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146535745
N-dec-1-en-2-yl-N'-[4-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]but-1-en-2-yl]pentane-1,5-diamine
CID 146227897
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146673229
CID 174007402
CID 174007402
(4S)-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxo-5-[2-[2-[2-(pentacosanoylamino)ethoxy]ethoxy]ethylamino]pentanoic acid
CID 155184065
(4S)-5-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxopentanoic acid
CID 118121238
4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-[2-[2-[3-[methyl(1-oxopropan-2-yl)amino]-3-oxopropoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 175745631
3-[2-[2-[3-[(1-ethoxy-1-oxopropan-2-yl)-methylamino]-3-oxopropoxy]ethoxy]ethylamino]-2-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-3-oxopropane-1-sulfonic acid
CID 175745649
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233

Frequently Asked Questions

What is the IUPAC name of N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The IUPAC name of N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (CID 118109462) is N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The canonical SMILES for N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is CNN(C)Cc1cc2ccccc2n1CCC(=O)NCCCCCNC=O.
What is the InChIKey of N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The InChIKey is FSNPBEDITKAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-21-24(2)15-18-14-17-8-4-5-9-19(17)25(18)13-10-20(27)23-12-7-3-6-11-22-16-26/h4-5,8-9,14,16,21H,3,6-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide has a molecular weight of 373.50 g/mol, XLogP of 1.63, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formamidopentyl)-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 118109462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).