(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C15H26N4O — CID 97190344

IUPAC(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCN1CCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)14-16-7-11-19(14)13(3)15(20)17-6-10-18-8-4-5-9-18/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyGWHYWIGZRJAZIC-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 97190344) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID97190344
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCN1CCCC1
InChIInChI=1S/C15H26N4O/c1-12(2)14-16-7-11-19(14)13(3)15(20)17-6-10-18-8-4-5-9-18/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyGWHYWIGZRJAZIC-ZDUSSCGKSA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 97190344) is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is CC(C)c1nccn1[C@@H](C)C(=O)NCCN1CCCC1.
What is the InChIKey of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is GWHYWIGZRJAZIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)14-16-7-11-19(14)13(3)15(20)17-6-10-18-8-4-5-9-18/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 97190344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).