N-butyl-2-(octan-4-ylamino)acetamide

C14H30N2O — CID 106024887

IUPACN-butyl-2-(octan-4-ylamino)acetamide
SMILESCCCCNC(=O)CNC(CCC)CCCC
InChIInChI=1S/C14H30N2O/c1-4-7-10-13(9-6-3)16-12-14(17)15-11-8-5-2/h13,16H,4-12H2,1-3H3,(H,15,17)
InChIKeyHNXDWHRMBNTYLI-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.85
Rot. Bonds11

About N-butyl-2-(octan-4-ylamino)acetamide

N-butyl-2-(octan-4-ylamino)acetamide (PubChem CID 106024887) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butyl-2-(octan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(octan-4-ylamino)acetamide
PubChem CID106024887
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butyl-2-(octan-4-ylamino)acetamide
SMILESCCCCNC(=O)CNC(CCC)CCCC
InChIInChI=1S/C14H30N2O/c1-4-7-10-13(9-6-3)16-12-14(17)15-11-8-5-2/h13,16H,4-12H2,1-3H3,(H,15,17)
InChIKeyHNXDWHRMBNTYLI-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
N-[2-(octan-4-ylamino)ethyl]acetamide
CID 102673471
N-octan-4-ylpentanamide
CID 91803774
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222
N-tert-butyl-2-(undecan-6-ylamino)acetamide
CID 115355945
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
N-pentyloctan-4-amine
CID 106023306
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(octan-4-ylamino)acetamide?
The IUPAC name of N-butyl-2-(octan-4-ylamino)acetamide (CID 106024887) is N-butyl-2-(octan-4-ylamino)acetamide.
What is the SMILES notation for N-butyl-2-(octan-4-ylamino)acetamide?
The canonical SMILES for N-butyl-2-(octan-4-ylamino)acetamide is CCCCNC(=O)CNC(CCC)CCCC.
What is the InChIKey of N-butyl-2-(octan-4-ylamino)acetamide?
The InChIKey is HNXDWHRMBNTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-10-13(9-6-3)16-12-14(17)15-11-8-5-2/h13,16H,4-12H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-(octan-4-ylamino)acetamide?
N-butyl-2-(octan-4-ylamino)acetamide has a molecular weight of 242.41 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(octan-4-ylamino)acetamide is sourced from PubChem (CID 106024887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).