N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide

C16H21N3O — CID 110697927

IUPACN-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2cnc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-4-6-13(7-5-12)19-15(20)9-8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXCHHRKKTHDPJPB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide

N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide (PubChem CID 110697927) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
PubChem CID110697927
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2cnc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-4-6-13(7-5-12)19-15(20)9-8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXCHHRKKTHDPJPB-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[3-(1H-imidazol-5-yl)propanoylamino]benzoate
CID 110697987
3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
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4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
CID 126785822
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943
bis(but-2-enedioic acid);7-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]octanamide
CID 57357684
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
CID 110697996
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide (CID 110697927) is N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide is CC(C)(C)c1ccc(NC(=O)CCc2cnc[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is XCHHRKKTHDPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)12-4-6-13(7-5-12)19-15(20)9-8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide?
N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 110697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).