N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide

C11H24N2O2 — CID 62520694

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
SMILESCCC(CC)(CO)NC(=O)CNC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-10(15)7-12-9(3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyDGSRRKGDTFASIT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide (PubChem CID 62520694) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
PubChem CID62520694
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
SMILESCCC(CC)(CO)NC(=O)CNC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-10(15)7-12-9(3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyDGSRRKGDTFASIT-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521063
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261786
N-(2-methyl-3-oxopentan-2-yl)-2-(propan-2-ylamino)acetamide
CID 156516034
N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
CID 79278740
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107852756
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
methyl 2-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoate
CID 60841662

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide (CID 62520694) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide is CCC(CC)(CO)NC(=O)CNC(C)C.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide?
The InChIKey is DGSRRKGDTFASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-10(15)7-12-9(3)4/h9,12,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide has a molecular weight of 216.32 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 62520694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).