3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide

C22H43N3O6 — CID 170045344

IUPAC3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
SMILESCC(C)CCOCC(=O)NC(COCCC(=O)NC(C)C)COCCC(=O)NC(C)C
InChIInChI=1S/C22H43N3O6/c1-16(2)7-10-31-15-22(28)25-19(13-29-11-8-20(26)23-17(3)4)14-30-12-9-21(27)24-18(5)6/h16-19H,7-15H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDRLAGPSOMVHQOH-UHFFFAOYSA-N
MW445.60 g/mol
LogP1.40
Rot. Bonds18

About 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide

3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide (PubChem CID 170045344) has the molecular formula C22H43N3O6 and a molecular weight of 445.60 g/mol. Its IUPAC name is 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
PubChem CID170045344
Molecular FormulaC22H43N3O6
Molecular Weight445.60 g/mol
Exact Mass445.32
IUPAC Name3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
SMILESCC(C)CCOCC(=O)NC(COCCC(=O)NC(C)C)COCCC(=O)NC(C)C
InChIInChI=1S/C22H43N3O6/c1-16(2)7-10-31-15-22(28)25-19(13-29-11-8-20(26)23-17(3)4)14-30-12-9-21(27)24-18(5)6/h16-19H,7-15H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDRLAGPSOMVHQOH-UHFFFAOYSA-N
XLogP1.40
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide
CID 171771197
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
CID 163605057
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356
2-(3-methylbutoxy)acetohydrazide
CID 63588728
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748
3-amino-N-[1-(3-amino-3-oxopropoxy)-3-[3-oxo-3-(propan-2-ylamino)propoxy]propan-2-yl]-2,2,3-trimethylbutanamide
CID 167491639
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide (CID 170045344) is 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide is CC(C)CCOCC(=O)NC(COCCC(=O)NC(C)C)COCCC(=O)NC(C)C.
What is the InChIKey of 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide?
The InChIKey is DRLAGPSOMVHQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O6/c1-16(2)7-10-31-15-22(28)25-19(13-29-11-8-20(26)23-17(3)4)14-30-12-9-21(27)24-18(5)6/h16-19H,7-15H2,1-6H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide?
3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide has a molecular weight of 445.60 g/mol, XLogP of 1.40, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 170045344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).