2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide

C16H28N2O3 — CID 138383992

IUPAC2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CC2C(C1)C2(CO)CO)NCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-10-16(11-20)13-7-18(8-14(13)16)9-15(21)17-6-12-4-2-1-3-5-12/h12-14,19-20H,1-11H2,(H,17,21)
InChIKeyCCQWIESSVWJRML-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.22
Rot. Bonds6

About 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide

2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 138383992) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID138383992
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CC2C(C1)C2(CO)CO)NCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-10-16(11-20)13-7-18(8-14(13)16)9-15(21)17-6-12-4-2-1-3-5-12/h12-14,19-20H,1-11H2,(H,17,21)
InChIKeyCCQWIESSVWJRML-UHFFFAOYSA-N
XLogP0.22
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide with MolForge

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Related Compounds

1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-(cyclobutylmethyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334071
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
N-(cyclohexylmethyl)-2-(4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 156603416
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128982897
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47284297

Frequently Asked Questions

What is the IUPAC name of 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide (CID 138383992) is 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide is O=C(CN1CC2C(C1)C2(CO)CO)NCC1CCCCC1.
What is the InChIKey of 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is CCQWIESSVWJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-10-16(11-20)13-7-18(8-14(13)16)9-15(21)17-6-12-4-2-1-3-5-12/h12-14,19-20H,1-11H2,(H,17,21).
What are the key properties of 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide?
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 138383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).