4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide

C14H28N2O2 — CID 66324174

IUPAC4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCOCC1CCCC1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-11(2)16-14(3,13(15)17)8-9-18-10-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyMNKQOTRPWJVZLX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds8

About 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide

4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 66324174) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID66324174
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(C)(CCOCC1CCCC1)C(N)=O
InChIInChI=1S/C14H28N2O2/c1-11(2)16-14(3,13(15)17)8-9-18-10-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyMNKQOTRPWJVZLX-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
CID 112589105
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)butanamide
CID 106204321
4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide (CID 66324174) is 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide is CC(C)NC(C)(CCOCC1CCCC1)C(N)=O.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is MNKQOTRPWJVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16-14(3,13(15)17)8-9-18-10-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 66324174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).