N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide

C23H41N3O4 — CID 176570858

IUPACN-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide
SMILESCC(=O)/C(=N\CCCN(CCCCCCCC=O)CCCCCCCC=O)NC=O
InChIInChI=1S/C23H41N3O4/c1-22(30)23(25-21-29)24-15-14-18-26(16-10-6-2-4-8-12-19-27)17-11-7-3-5-9-13-20-28/h19-21H,2-18H2,1H3,(H,24,25,29)
InChIKeySQOOWHKUCFADIA-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.49
Rot. Bonds22

About N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide

N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide (PubChem CID 176570858) has the molecular formula C23H41N3O4 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide.

Molecular Properties

Compound NameN-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide
PubChem CID176570858
Molecular FormulaC23H41N3O4
Molecular Weight423.60 g/mol
Exact Mass423.31
IUPAC NameN-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide
SMILESCC(=O)/C(=N\CCCN(CCCCCCCC=O)CCCCCCCC=O)NC=O
InChIInChI=1S/C23H41N3O4/c1-22(30)23(25-21-29)24-15-14-18-26(16-10-6-2-4-8-12-19-27)17-11-7-3-5-9-13-20-28/h19-21H,2-18H2,1H3,(H,24,25,29)
InChIKeySQOOWHKUCFADIA-UHFFFAOYSA-N
XLogP3.49
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide with MolForge

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Related Compounds

2-[3-(dihexadecylamino)propyl]-1-methoxyguanidine;formic acid;nonanal
CID 170756762
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
5-(didecylamino)pentanal
CID 162037939
4-amino-N'-[3-[bis(8-oxooctyl)amino]propyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 171538918
9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
[1-azanidylidene-3-[3-[bis(8-oxooctyl)amino]propylimino]-3-(hydroxyamino)-1-(methylamino)propan-2-ylidene]niobium;9-methoxyheptadecane;3-methoxyundecane
CID 171538961
methyl 8-[2-(methylamino)ethyl-(6-oxohexyl)amino]octanoate
CID 168894509
N'-[3-[4-[3-(diaminomethylideneamino)propyl-[(Z)-octadec-9-enyl]amino]butyl-octadec-9-enylamino]propyl]ethanimidamide
CID 58785251
S-(7-oxoheptyl) ethanethioate
CID 10631482
pentadecan-8-yl 8-[3-[(1-hydrazinyl-2-imino-3-methylpentylidene)amino]propyl-(8-oxooctyl)amino]octanoate
CID 176570990
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal
CID 170759309

Frequently Asked Questions

What is the IUPAC name of N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide?
The IUPAC name of N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide (CID 176570858) is N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide.
What is the SMILES notation for N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide?
The canonical SMILES for N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide is CC(=O)/C(=N\CCCN(CCCCCCCC=O)CCCCCCCC=O)NC=O.
What is the InChIKey of N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide?
The InChIKey is SQOOWHKUCFADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O4/c1-22(30)23(25-21-29)24-15-14-18-26(16-10-6-2-4-8-12-19-27)17-11-7-3-5-9-13-20-28/h19-21H,2-18H2,1H3,(H,24,25,29).
What are the key properties of N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide?
N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide has a molecular weight of 423.60 g/mol, XLogP of 3.49, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-acetyl-N-[3-[bis(8-oxooctyl)amino]propyl]carbonimidoyl]formamide is sourced from PubChem (CID 176570858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).