2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide

C13H24N2O3 — CID 91785853

IUPAC2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-15(10-4-2-3-5-10)8-13(17)14-11-6-7-18-9-12(11)16/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyWUPGGLHQVNBWHI-VXGBXAGGSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds4

About 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide

2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide (PubChem CID 91785853) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
PubChem CID91785853
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-15(10-4-2-3-5-10)8-13(17)14-11-6-7-18-9-12(11)16/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyWUPGGLHQVNBWHI-VXGBXAGGSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(2S)-4-(dimethylamino)-3-hydroxyhexan-2-yl]oxyethyl]acetamide
CID 134314995
N-butyl-N'-(3-hydroxyoxan-4-yl)oxamide
CID 137481779
N-(cyclopropylmethyl)-N'-(3-hydroxyoxan-4-yl)oxamide
CID 142527753
ethane;N-(3-hydroxyoxan-4-yl)acetamide
CID 145223948
2-(tert-butylamino)-N-[[(2S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]methyl]acetamide
CID 173901621
N'-(3-hydroxyoxan-4-yl)oxamide
CID 175890508
N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol
CID 176999469
(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one
CID 10610413
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-propan-2-ylacetamide
CID 54938302
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-propylacetamide
CID 54938539
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethylacetamide
CID 54938726
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-cyclopropylacetamide
CID 54938781

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide (CID 91785853) is 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide is CN(CC(=O)N[C@@H]1CCOC[C@H]1O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The InChIKey is WUPGGLHQVNBWHI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-15(10-4-2-3-5-10)8-13(17)14-11-6-7-18-9-12(11)16/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide is sourced from PubChem (CID 91785853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).