N-butyl-2-(oxan-3-ylamino)propanamide

C12H24N2O2 — CID 63363455

IUPACN-butyl-2-(oxan-3-ylamino)propanamide
SMILESCCCCNC(=O)C(C)NC1CCCOC1
InChIInChI=1S/C12H24N2O2/c1-3-4-7-13-12(15)10(2)14-11-6-5-8-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFWGMUACLGCPNJC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About N-butyl-2-(oxan-3-ylamino)propanamide

N-butyl-2-(oxan-3-ylamino)propanamide (PubChem CID 63363455) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-2-(oxan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(oxan-3-ylamino)propanamide
PubChem CID63363455
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-2-(oxan-3-ylamino)propanamide
SMILESCCCCNC(=O)C(C)NC1CCCOC1
InChIInChI=1S/C12H24N2O2/c1-3-4-7-13-12(15)10(2)14-11-6-5-8-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyFWGMUACLGCPNJC-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
2-amino-N-(oxan-3-yl)hexanamide
CID 63361485
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
N-cyclopropyl-2-(oxolan-3-ylamino)propanamide
CID 80713366
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
CID 79870432
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
N-butyl-2-cyclopentylpropanamide
CID 173178636

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(oxan-3-ylamino)propanamide?
The IUPAC name of N-butyl-2-(oxan-3-ylamino)propanamide (CID 63363455) is N-butyl-2-(oxan-3-ylamino)propanamide.
What is the SMILES notation for N-butyl-2-(oxan-3-ylamino)propanamide?
The canonical SMILES for N-butyl-2-(oxan-3-ylamino)propanamide is CCCCNC(=O)C(C)NC1CCCOC1.
What is the InChIKey of N-butyl-2-(oxan-3-ylamino)propanamide?
The InChIKey is FWGMUACLGCPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-7-13-12(15)10(2)14-11-6-5-8-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-2-(oxan-3-ylamino)propanamide?
N-butyl-2-(oxan-3-ylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(oxan-3-ylamino)propanamide is sourced from PubChem (CID 63363455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).