N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

C14H28N2O2 — CID 103728598

IUPACN-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-12(2)15-13(17)10-16-9-8-14(3,18)11-16/h12,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyCVRAIQREJQOBBY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds7

About N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (PubChem CID 103728598) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
PubChem CID103728598
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-12(2)15-13(17)10-16-9-8-14(3,18)11-16/h12,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyCVRAIQREJQOBBY-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347
N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681350
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-propan-2-ylpropanamide
CID 103728301
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (CID 103728598) is N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is CCCCCC(C)NC(=O)CN1CCC(C)(O)C1.
What is the InChIKey of N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is CVRAIQREJQOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-7-12(2)15-13(17)10-16-9-8-14(3,18)11-16/h12,18H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103728598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).