2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide

C16H29N3O2 — CID 94822117

IUPAC2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
SMILESCN1CCC[C@H]1CNC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-19-9-5-8-14(19)11-17-16(21)12-18-15(20)10-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKeyKAWZBEBPUIFWBT-AWEZNQCLSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds6

About 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide

2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide (PubChem CID 94822117) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
PubChem CID94822117
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
SMILESCN1CCC[C@H]1CNC(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-19-9-5-8-14(19)11-17-16(21)12-18-15(20)10-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKeyKAWZBEBPUIFWBT-AWEZNQCLSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106019327
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
CID 90567443
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026215
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide (CID 94822117) is 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide is CN1CCC[C@H]1CNC(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is KAWZBEBPUIFWBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-19-9-5-8-14(19)11-17-16(21)12-18-15(20)10-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide?
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 94822117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).