2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide

C11H22N2O3 — CID 106298541

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-3-10(2,12)9(15)13-11(8-14)4-6-16-7-5-11/h14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNUYPHNPWHRPKBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.23
Rot. Bonds4

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide (PubChem CID 106298541) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
PubChem CID106298541
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-3-10(2,12)9(15)13-11(8-14)4-6-16-7-5-11/h14H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNUYPHNPWHRPKBI-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 114170262
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpentanamide
CID 55086703
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
CID 62679590
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 62550986
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide (CID 106298541) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide is CCC(C)(N)C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide?
The InChIKey is NUYPHNPWHRPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-10(2,12)9(15)13-11(8-14)4-6-16-7-5-11/h14H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide is sourced from PubChem (CID 106298541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).