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

C13H26N2O3 — CID 106297661

IUPACN-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-4-10(2)14-12(17)11(3)15-13(9-16)5-7-18-8-6-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17)
InChIKeyNUWDOMYLWOSUBQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds6

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

N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (PubChem CID 106297661) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
PubChem CID106297661
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-4-10(2)14-12(17)11(3)15-13(9-16)5-7-18-8-6-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17)
InChIKeyNUWDOMYLWOSUBQ-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 62522232
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
CID 106297634
N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212364
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide
CID 62552678
methyl 3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 103952283
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylacetamide
CID 113233848
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide (CID 106297661) is N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is CCC(C)NC(=O)C(C)NC1(CO)CCOCC1.
What is the InChIKey of N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
The InChIKey is NUWDOMYLWOSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-10(2)14-12(17)11(3)15-13(9-16)5-7-18-8-6-13/h10-11,15-16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide?
N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide is sourced from PubChem (CID 106297661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).