2-(octan-4-ylamino)-N-propan-2-ylacetamide

C13H28N2O — CID 103776277

IUPAC2-(octan-4-ylamino)-N-propan-2-ylacetamide
SMILESCCCCC(CCC)NCC(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyBDDYODVSXMGVMO-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds9

About 2-(octan-4-ylamino)-N-propan-2-ylacetamide

2-(octan-4-ylamino)-N-propan-2-ylacetamide (PubChem CID 103776277) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(octan-4-ylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(octan-4-ylamino)-N-propan-2-ylacetamide
PubChem CID103776277
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(octan-4-ylamino)-N-propan-2-ylacetamide
SMILESCCCCC(CCC)NCC(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16)
InChIKeyBDDYODVSXMGVMO-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
CID 115707624
N-butyl-2-(octan-4-ylamino)acetamide
CID 106024887
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
1-octan-4-yl-3-propan-2-ylthiourea
CID 103729080
N-octan-4-ylpentanamide
CID 91803774
2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
CID 21016265
N-tert-butyl-2-(undecan-6-ylamino)acetamide
CID 115355945
1-(octan-4-ylamino)propan-2-ol
CID 103775311
3-butyl-N-propan-2-yloctanamide
CID 90867024
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991

Frequently Asked Questions

What is the IUPAC name of 2-(octan-4-ylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(octan-4-ylamino)-N-propan-2-ylacetamide (CID 103776277) is 2-(octan-4-ylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(octan-4-ylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(octan-4-ylamino)-N-propan-2-ylacetamide is CCCCC(CCC)NCC(=O)NC(C)C.
What is the InChIKey of 2-(octan-4-ylamino)-N-propan-2-ylacetamide?
The InChIKey is BDDYODVSXMGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h11-12,14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 2-(octan-4-ylamino)-N-propan-2-ylacetamide?
2-(octan-4-ylamino)-N-propan-2-ylacetamide has a molecular weight of 228.38 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-4-ylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 103776277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).