2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide

C15H29NO2 — CID 21366296

IUPAC2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-11(2)16-14(17)13(15(3,4)5)18-10-12-8-6-7-9-12/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyHNOHVFIRUQJNBD-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds5

About 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide

2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 21366296) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID21366296
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-11(2)16-14(17)13(15(3,4)5)18-10-12-8-6-7-9-12/h11-13H,6-10H2,1-5H3,(H,16,17)
InChIKeyHNOHVFIRUQJNBD-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide (CID 21366296) is 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(OCC1CCCC1)C(C)(C)C.
What is the InChIKey of 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is HNOHVFIRUQJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)16-14(17)13(15(3,4)5)18-10-12-8-6-7-9-12/h11-13H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 255.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 21366296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).