N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide

C13H26N2O2 — CID 114105488

IUPACN-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCC1CCOC1C
InChIInChI=1S/C13H26N2O2/c1-4-5-7-14-13(16)10(2)15-9-12-6-8-17-11(12)3/h10-12,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyGPUSRPQFWUZCNR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide

N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide (PubChem CID 114105488) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
PubChem CID114105488
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCC1CCOC1C
InChIInChI=1S/C13H26N2O2/c1-4-5-7-14-13(16)10(2)15-9-12-6-8-17-11(12)3/h10-12,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyGPUSRPQFWUZCNR-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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

N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 103110064
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
CID 61024472
N-butyl-2-[(4-hydroxyoxan-4-yl)methylamino]propanamide
CID 81131394

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide?
The IUPAC name of N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide (CID 114105488) is N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide is CCCCNC(=O)C(C)NCC1CCOC1C.
What is the InChIKey of N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide?
The InChIKey is GPUSRPQFWUZCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-7-14-13(16)10(2)15-9-12-6-8-17-11(12)3/h10-12,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide?
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 114105488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).