N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide

C13H24N2O3 — CID 71877069

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide
SMILESCCC(C)(C)NC(=O)CONC(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-13(2,3)14-11(16)9-18-15-12(17)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXNTUXCGZPPZTED-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide

N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide (PubChem CID 71877069) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide
PubChem CID71877069
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide
SMILESCCC(C)(C)NC(=O)CONC(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-13(2,3)14-11(16)9-18-15-12(17)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXNTUXCGZPPZTED-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
2-amino-2-cyclopropyl-N-(2-methylbutan-2-yl)propanamide
CID 60866770
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
2-[2-(methylamino)ethoxy]-N-(2-methylbutan-2-yl)acetamide
CID 62338179
N-methoxycyclopentanecarboxamide
CID 59130435

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide (CID 71877069) is N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide is CCC(C)(C)NC(=O)CONC(=O)C1CCCC1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide?
The InChIKey is XNTUXCGZPPZTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(2,3)14-11(16)9-18-15-12(17)10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]cyclopentanecarboxamide is sourced from PubChem (CID 71877069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).