N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide

C12H21N3O — CID 141434977

IUPACN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@H](NC(=O)C(C)(C)C)c1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-8(2)9(10-13-6-7-14-10)15-11(16)12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyVPTNQJXQTBELMN-VIFPVBQESA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds3

About N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide

N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide (PubChem CID 141434977) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide
PubChem CID141434977
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@H](NC(=O)C(C)(C)C)c1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-8(2)9(10-13-6-7-14-10)15-11(16)12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyVPTNQJXQTBELMN-VIFPVBQESA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide
CID 22883888
1-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118535078
(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-3-(2-methylpropyl)butanediamide
CID 57016824
1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea
CID 100763909
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810
[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
CID 175546665
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
CID 114105991
(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide
CID 22883897
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide (CID 141434977) is N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide is CC(C)[C@H](NC(=O)C(C)(C)C)c1ncc[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide?
The InChIKey is VPTNQJXQTBELMN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)9(10-13-6-7-14-10)15-11(16)12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide?
N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 141434977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).