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

C14H26N2O2 — CID 78942509

IUPACN-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-11-13-8-5-9-16(13)10-14(18)15-12-6-3-1-2-4-7-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1
InChIKeyJIJRTTDLNJRBGD-ZDUSSCGKSA-N
MW254.37 g/mol
LogP1.28
Rot. Bonds4

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

N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942509) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942509
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-11-13-8-5-9-16(13)10-14(18)15-12-6-3-1-2-4-7-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1
InChIKeyJIJRTTDLNJRBGD-ZDUSSCGKSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
N-cycloheptyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690342
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942456
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 95154417
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942509) is N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1CO)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JIJRTTDLNJRBGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-11-13-8-5-9-16(13)10-14(18)15-12-6-3-1-2-4-7-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1.
What are the key properties of N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).