4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide

C21H39N5O5 — CID 71430120

IUPAC4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
SMILESCCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(C)=O
InChIInChI=1S/C21H39N5O5/c1-3-12-23-18(28)9-5-14-25-20(30)11-7-16-26-21(31)10-6-15-24-19(29)8-4-13-22-17(2)27/h3-16H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)(H,25,30)(H,26,31)
InChIKeyQGZHRYDPVPMKDQ-UHFFFAOYSA-N
MW441.57 g/mol
LogP0.12
Rot. Bonds18

About 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide

4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide (PubChem CID 71430120) has the molecular formula C21H39N5O5 and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
PubChem CID71430120
Molecular FormulaC21H39N5O5
Molecular Weight441.57 g/mol
Exact Mass441.30
IUPAC Name4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
SMILESCCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(C)=O
InChIInChI=1S/C21H39N5O5/c1-3-12-23-18(28)9-5-14-25-20(30)11-7-16-26-21(31)10-6-15-24-19(29)8-4-13-22-17(2)27/h3-16H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)(H,25,30)(H,26,31)
InChIKeyQGZHRYDPVPMKDQ-UHFFFAOYSA-N
XLogP0.12
TPSA145.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 50.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide with MolForge

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Related Compounds

6-acetamido-N-propylhexanamide
CID 60654879
5-acetamido-N-butylpentanamide
CID 123729472
N-(4-acetamidobutyl)butanamide
CID 110417477
N,N'-dipropyldecanediamide
CID 102239298
12-oxo-N-propyltridecanamide
CID 135223938
4-(ethylamino)-N-propylbutanamide
CID 168958611
5-acetamido-N-ethylpentanamide
CID 145189248
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
ethane;N-propylheptanamide
CID 145289188
N'-(3-acetamidopropyl)-N-butylpropanediamide
CID 59843703
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide?
The IUPAC name of 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide (CID 71430120) is 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide?
The canonical SMILES for 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide is CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(C)=O.
What is the InChIKey of 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide?
The InChIKey is QGZHRYDPVPMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O5/c1-3-12-23-18(28)9-5-14-25-20(30)11-7-16-26-21(31)10-6-15-24-19(29)8-4-13-22-17(2)27/h3-16H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)(H,25,30)(H,26,31).
What are the key properties of 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide?
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide has a molecular weight of 441.57 g/mol, XLogP of 0.12, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide is sourced from PubChem (CID 71430120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).