2-(octan-2-ylamino)-N-pentylpropanamide

C16H34N2O — CID 61476673

IUPAC2-(octan-2-ylamino)-N-pentylpropanamide
SMILESCCCCCCC(C)NC(C)C(=O)NCCCCC
InChIInChI=1S/C16H34N2O/c1-5-7-9-10-12-14(3)18-15(4)16(19)17-13-11-8-6-2/h14-15,18H,5-13H2,1-4H3,(H,17,19)
InChIKeyPTXOYPPLSSTFGP-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.63
Rot. Bonds12

About 2-(octan-2-ylamino)-N-pentylpropanamide

2-(octan-2-ylamino)-N-pentylpropanamide (PubChem CID 61476673) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(octan-2-ylamino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(octan-2-ylamino)-N-pentylpropanamide
PubChem CID61476673
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(octan-2-ylamino)-N-pentylpropanamide
SMILESCCCCCCC(C)NC(C)C(=O)NCCCCC
InChIInChI=1S/C16H34N2O/c1-5-7-9-10-12-14(3)18-15(4)16(19)17-13-11-8-6-2/h14-15,18H,5-13H2,1-4H3,(H,17,19)
InChIKeyPTXOYPPLSSTFGP-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.63
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

N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
2-(nonan-2-ylamino)propanoic acid
CID 61499682
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
2-(pent-4-en-2-ylamino)-N-pentylpropanamide
CID 115632132
2-methyl-N-nonyldecanamide
CID 141429494
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
N-octadecyl-2-octylicosanamide
CID 154636535
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-tetradecan-2-yltetradecan-2-amine
CID 20841578

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-ylamino)-N-pentylpropanamide?
The IUPAC name of 2-(octan-2-ylamino)-N-pentylpropanamide (CID 61476673) is 2-(octan-2-ylamino)-N-pentylpropanamide.
What is the SMILES notation for 2-(octan-2-ylamino)-N-pentylpropanamide?
The canonical SMILES for 2-(octan-2-ylamino)-N-pentylpropanamide is CCCCCCC(C)NC(C)C(=O)NCCCCC.
What is the InChIKey of 2-(octan-2-ylamino)-N-pentylpropanamide?
The InChIKey is PTXOYPPLSSTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-9-10-12-14(3)18-15(4)16(19)17-13-11-8-6-2/h14-15,18H,5-13H2,1-4H3,(H,17,19).
What are the key properties of 2-(octan-2-ylamino)-N-pentylpropanamide?
2-(octan-2-ylamino)-N-pentylpropanamide has a molecular weight of 270.46 g/mol, XLogP of 3.63, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-ylamino)-N-pentylpropanamide is sourced from PubChem (CID 61476673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).