N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide

C16H34N2O — CID 61476708

IUPACN-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H34N2O/c1-6-7-8-9-10-14(4)18-15(5)16(19)17-12-11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,17,19)
InChIKeyCINNNOTUVNZWFG-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.49
Rot. Bonds11

About N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide

N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide (PubChem CID 61476708) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
PubChem CID61476708
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H34N2O/c1-6-7-8-9-10-14(4)18-15(5)16(19)17-12-11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,17,19)
InChIKeyCINNNOTUVNZWFG-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.49
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-2-ylamino)-N-pentylpropanamide
CID 61476673
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980
2-(nonan-2-ylamino)propanoic acid
CID 61499682
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 82937505
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide (CID 61476708) is N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide is CCCCCCC(C)NC(C)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide?
The InChIKey is CINNNOTUVNZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-7-8-9-10-14(4)18-15(5)16(19)17-12-11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide?
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide has a molecular weight of 270.46 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide is sourced from PubChem (CID 61476708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).