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

C16H32N2O2 — CID 116637510

IUPACN-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C16H32N2O2/c1-3-4-6-9-14(2)17-16(20)12-18-11-8-5-7-10-15(18)13-19/h14-15,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyOCDWEWLJMARDGA-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.31
Rot. Bonds8

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

N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (PubChem CID 116637510) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
PubChem CID116637510
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C16H32N2O2/c1-3-4-6-9-14(2)17-16(20)12-18-11-8-5-7-10-15(18)13-19/h14-15,19H,3-13H2,1-2H3,(H,17,20)
InChIKeyOCDWEWLJMARDGA-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.31
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-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62738251
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
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
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The IUPAC name of N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (CID 116637510) is N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is CCCCCC(C)NC(=O)CN1CCCCCC1CO.
What is the InChIKey of N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The InChIKey is OCDWEWLJMARDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-6-9-14(2)17-16(20)12-18-11-8-5-7-10-15(18)13-19/h14-15,19H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.31, 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-[2-(hydroxymethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 116637510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).