2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide

C13H26N2O3 — CID 113293822

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O3/c1-11(8-18-2)15-12(17)7-14-9-13(10-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyFDUCJAAKRSNPJY-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.28
Rot. Bonds8

About 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 113293822) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID113293822
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O3/c1-11(8-18-2)15-12(17)7-14-9-13(10-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyFDUCJAAKRSNPJY-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60697071
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 103966507
2-[(2-hydroxycyclohexyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 62360031

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide (CID 113293822) is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNCC1(CO)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is FDUCJAAKRSNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(8-18-2)15-12(17)7-14-9-13(10-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide?
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 113293822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).