N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide

C10H17N3O2 — CID 115283469

IUPACN-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
SMILESCC(CCO)NC(=O)CCn1ccnc1
InChIInChI=1S/C10H17N3O2/c1-9(3-7-14)12-10(15)2-5-13-6-4-11-8-13/h4,6,8-9,14H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyBLTIIMOCXRLMBC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.16
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide

N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide (PubChem CID 115283469) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
PubChem CID115283469
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
SMILESCC(CCO)NC(=O)CCn1ccnc1
InChIInChI=1S/C10H17N3O2/c1-9(3-7-14)12-10(15)2-5-13-6-4-11-8-13/h4,6,8-9,14H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyBLTIIMOCXRLMBC-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
3-hydroxy-2-(3-imidazol-1-ylpropanoylamino)propanoic acid
CID 24702639
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
CID 54961391
3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 126446389
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
(3S)-5-(3-imidazol-1-ylpropanoylamino)-3-methylpentanamide
CID 173104435

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide (CID 115283469) is N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide is CC(CCO)NC(=O)CCn1ccnc1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is BLTIIMOCXRLMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9(3-7-14)12-10(15)2-5-13-6-4-11-8-13/h4,6,8-9,14H,2-3,5,7H2,1H3,(H,12,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide?
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 115283469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).