6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide

C15H29N5O4 — CID 170721461

IUPAC6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide
SMILESCCC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC
InChIInChI=1S/C15H29N5O4/c1-3-11(21)8-19-15(24)12(6-4-5-7-16)20-14(23)10-18-13(22)9-17-2/h12,17H,3-10,16H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyNSNGQFCTAXHDSL-UHFFFAOYSA-N
MW343.43 g/mol
LogP-1.97
Rot. Bonds13

About 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide

6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide (PubChem CID 170721461) has the molecular formula C15H29N5O4 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide.

Molecular Properties

Compound Name6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide
PubChem CID170721461
Molecular FormulaC15H29N5O4
Molecular Weight343.43 g/mol
Exact Mass343.22
IUPAC Name6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide
SMILESCCC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC
InChIInChI=1S/C15H29N5O4/c1-3-11(21)8-19-15(24)12(6-4-5-7-16)20-14(23)10-18-13(22)9-17-2/h12,17H,3-10,16H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyNSNGQFCTAXHDSL-UHFFFAOYSA-N
XLogP-1.97
TPSA142.42 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide?
The IUPAC name of 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide (CID 170721461) is 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide.
What is the SMILES notation for 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide?
The canonical SMILES for 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide is CCC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC.
What is the InChIKey of 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide?
The InChIKey is NSNGQFCTAXHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O4/c1-3-11(21)8-19-15(24)12(6-4-5-7-16)20-14(23)10-18-13(22)9-17-2/h12,17H,3-10,16H2,1-2H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide?
6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide has a molecular weight of 343.43 g/mol, XLogP of -1.97, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-N-(2-oxobutyl)hexanamide is sourced from PubChem (CID 170721461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).