N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H28N2O2 — CID 62738251

IUPACN-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C14H28N2O2/c1-3-4-5-7-12(2)15-14(18)10-16-9-6-8-13(16)11-17/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12?,13-/m1/s1
InChIKeyCNEUYPBTFWFRQZ-ZGTCLIOFSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds8

About N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62738251) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62738251
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C14H28N2O2/c1-3-4-5-7-12(2)15-14(18)10-16-9-6-8-13(16)11-17/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12?,13-/m1/s1
InChIKeyCNEUYPBTFWFRQZ-ZGTCLIOFSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637510
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62738251) is N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CCCCCC(C)NC(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CNEUYPBTFWFRQZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-5-7-12(2)15-14(18)10-16-9-6-8-13(16)11-17/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12?,13-/m1/s1.
What are the key properties of N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 8 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-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62738251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).