3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide

C9H18N2O2 — CID 54773627

IUPAC3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCNCCC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O2/c1-10-5-4-9(12)11-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyBNGVCGOPNPQEQP-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds5

About 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide

3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 54773627) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID54773627
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCNCCC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O2/c1-10-5-4-9(12)11-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyBNGVCGOPNPQEQP-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide (CID 54773627) is 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide is CNCCC(=O)NCC1CCCO1.
What is the InChIKey of 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BNGVCGOPNPQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-5-4-9(12)11-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide?
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 54773627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).