2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide

C10H22N2O3 — CID 65313831

IUPAC2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(CO)CO
InChIInChI=1S/C10H22N2O3/c1-3-8(4-2)12-10(15)5-11-9(6-13)7-14/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQHGXWLLZIAZFAR-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.77
Rot. Bonds8

About 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide

2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide (PubChem CID 65313831) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
PubChem CID65313831
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(CO)CO
InChIInChI=1S/C10H22N2O3/c1-3-8(4-2)12-10(15)5-11-9(6-13)7-14/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQHGXWLLZIAZFAR-UHFFFAOYSA-N
XLogP-0.77
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
CID 115627530
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43499785
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-(cyclopropylamino)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 107222480
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
CID 60690899

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide (CID 65313831) is 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNC(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide?
The InChIKey is QHGXWLLZIAZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-8(4-2)12-10(15)5-11-9(6-13)7-14/h8-9,11,13-14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide?
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide has a molecular weight of 218.30 g/mol, XLogP of -0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 65313831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).