N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide

C13H24N2O3 — CID 111430885

IUPACN-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CC1(O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)12(17)15-8-7-14-11(16)9-13(18)5-3-4-6-13/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyOTCVZXLMNSCGJJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds6

About N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 111430885) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID111430885
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CC1(O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)12(17)15-8-7-14-11(16)9-13(18)5-3-4-6-13/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyOTCVZXLMNSCGJJ-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
CID 111825842
N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111560761
N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537332
2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380808
2-(1-hydroxycyclopentyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 111430476
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
N-[2-[butyl(methyl)amino]ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538536
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide (CID 111430885) is N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CC1(O)CCCC1.
What is the InChIKey of N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is OTCVZXLMNSCGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)12(17)15-8-7-14-11(16)9-13(18)5-3-4-6-13/h10,18H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111430885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).