4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide

C11H22N2O2 — CID 80542445

IUPAC4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
SMILESCC(CCN)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-8(5-6-12)11(14)13-9(2)10-4-3-7-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyGQNAPMKCFRPQOZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

About 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide

4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide (PubChem CID 80542445) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
PubChem CID80542445
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
SMILESCC(CCN)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-8(5-6-12)11(14)13-9(2)10-4-3-7-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyGQNAPMKCFRPQOZ-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(oxolan-2-yl)ethyl]butanediamide
CID 60848182
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
2-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 76924918
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
CID 80543915
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-(oxolan-2-yl)ethylthiourea
CID 43533883

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide (CID 80542445) is 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide is CC(CCN)C(=O)NC(C)C1CCCO1.
What is the InChIKey of 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is GQNAPMKCFRPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(5-6-12)11(14)13-9(2)10-4-3-7-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide?
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 80542445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).