N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide

C19H34N2O2 — CID 22972620

IUPACN'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C19H34N2O2/c1-19(2,3)21-18(23)16(12-14-8-9-14)15(17(20)22)11-10-13-6-4-5-7-13/h13-16H,4-12H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJQMNKWIORUSWIP-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.39
Rot. Bonds8

About N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide

N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide (PubChem CID 22972620) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide
PubChem CID22972620
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C19H34N2O2/c1-19(2,3)21-18(23)16(12-14-8-9-14)15(17(20)22)11-10-13-6-4-5-7-13/h13-16H,4-12H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyJQMNKWIORUSWIP-UHFFFAOYSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-tert-butyl-2-(2-cyclopentylethyl)-3,3-dimethylbutanamide
CID 20790174
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
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N-tert-butyl-2-(2-cyclopentylethyl)-4,4-dimethylpentanamide
CID 20790176
N-tert-butyl-2-(2-cyclopropylethyl)-3-methylbutanamide
CID 20790178
N-tert-butyl-2-(cyclobutylmethyl)-4-cyclopentylbutanamide
CID 20790205
N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide
CID 20790218
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CID 20790269

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide (CID 22972620) is N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide is CC(C)(C)NC(=O)C(CC1CC1)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide?
The InChIKey is JQMNKWIORUSWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)21-18(23)16(12-14-8-9-14)15(17(20)22)11-10-13-6-4-5-7-13/h13-16H,4-12H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide?
N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide has a molecular weight of 322.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(2-cyclopentylethyl)-3-(cyclopropylmethyl)butanediamide is sourced from PubChem (CID 22972620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).