2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide

C12H26N2O2 — CID 82724423

IUPAC2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NOC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-9-13-11(15)10(2)14-16-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,13,15)
InChIKeyFQBAYCYKUSWPGU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.00
Rot. Bonds7

About 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide

2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide (PubChem CID 82724423) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide
PubChem CID82724423
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NOC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-8-9-13-11(15)10(2)14-16-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,13,15)
InChIKeyFQBAYCYKUSWPGU-UHFFFAOYSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentyl-2-(2,2,2-trifluoroethoxyamino)propanamide
CID 82722236
2-[(2-amino-2-oxoethoxy)amino]-N-pentylpropanamide
CID 112673608
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
CID 62048218
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentylpropanamide
CID 65111805
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
tert-butyl N-nonylcarbamate;ethane
CID 168941348
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
N-octadecyl-2-octylicosanamide
CID 154636535

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide (CID 82724423) is 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NOC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide?
The InChIKey is FQBAYCYKUSWPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-8-9-13-11(15)10(2)14-16-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,13,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide?
2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide is sourced from PubChem (CID 82724423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).