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

C12H24N2O2 — CID 115337032

IUPACN-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCC(NC1CCOC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(11(15)14-12(3,4)5)13-10-6-7-16-9(10)2/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyZRQSGTUWXFXMQG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds3

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

N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide (PubChem CID 115337032) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
PubChem CID115337032
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
SMILESCC(NC1CCOC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(11(15)14-12(3,4)5)13-10-6-7-16-9(10)2/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyZRQSGTUWXFXMQG-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 82726185
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102733998
2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
N-tert-butyl-2-[(2-methoxycyclopentyl)amino]propanamide
CID 62086267
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
CID 112700338
N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033634
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
CID 115335773
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
CID 97358167
2,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82736324
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide (CID 115337032) is N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide is CC(NC1CCOC1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide?
The InChIKey is ZRQSGTUWXFXMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(11(15)14-12(3,4)5)13-10-6-7-16-9(10)2/h8-10,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide?
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 115337032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).