N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C16H30N2O2 — CID 97080322

IUPACN-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@H](CO)C1)NCCCC1CCCCC1
InChIInChI=1S/C16H30N2O2/c19-13-15-8-10-18(11-15)12-16(20)17-9-4-7-14-5-2-1-3-6-14/h14-15,19H,1-13H2,(H,17,20)/t15-/m0/s1
InChIKeyAXDYJVNDWIZIQH-HNNXBMFYSA-N
MW282.43 g/mol
LogP1.78
Rot. Bonds7

About N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 97080322) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID97080322
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CC[C@H](CO)C1)NCCCC1CCCCC1
InChIInChI=1S/C16H30N2O2/c19-13-15-8-10-18(11-15)12-16(20)17-9-4-7-14-5-2-1-3-6-14/h14-15,19H,1-13H2,(H,17,20)/t15-/m0/s1
InChIKeyAXDYJVNDWIZIQH-HNNXBMFYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.78
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

methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
N-(2-ethoxyethyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111974917
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
3-cyclohexylpropylcarbamic acid
CID 54479876
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
CID 59303854
CID 59303854

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 97080322) is N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CC[C@H](CO)C1)NCCCC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is AXDYJVNDWIZIQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-13-15-8-10-18(11-15)12-16(20)17-9-4-7-14-5-2-1-3-6-14/h14-15,19H,1-13H2,(H,17,20)/t15-/m0/s1.
What are the key properties of N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97080322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).