N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide

C16H29NO2 — CID 20790259

IUPACN-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCCC1)OCC1CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)17-15(18)14(19-11-13-8-9-13)10-12-6-4-5-7-12/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyRRCGZTDZAUJSKQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.28
Rot. Bonds6

About N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide

N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide (PubChem CID 20790259) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide
PubChem CID20790259
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCCC1)OCC1CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)17-15(18)14(19-11-13-8-9-13)10-12-6-4-5-7-12/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyRRCGZTDZAUJSKQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide (CID 20790259) is N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide is CC(C)(C)NC(=O)C(CC1CCCC1)OCC1CC1.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide?
The InChIKey is RRCGZTDZAUJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)17-15(18)14(19-11-13-8-9-13)10-12-6-4-5-7-12/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide?
N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide has a molecular weight of 267.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 20790259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).