(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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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97274088
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72890918
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122560829
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97200953
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97064288
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
3-[2-[2-(2-propan-2-ylimidazol-1-yl)propanoylamino]ethoxy]benzoic acid
CID 121498392
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72935543
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
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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).