N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide

C10H17N3O3 — CID 103511037

IUPACN-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cncn1C
InChIInChI=1S/C10H17N3O3/c1-7(10(15-3)16-4)12-9(14)8-5-11-6-13(8)2/h5-7,10H,1-4H3,(H,12,14)
InChIKeyPZGRWSOODIHSKU-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.16
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide

N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide (PubChem CID 103511037) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
PubChem CID103511037
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cncn1C
InChIInChI=1S/C10H17N3O3/c1-7(10(15-3)16-4)12-9(14)8-5-11-6-13(8)2/h5-7,10H,1-4H3,(H,12,14)
InChIKeyPZGRWSOODIHSKU-UHFFFAOYSA-N
XLogP0.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 106182939
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286
N-(2-methoxyethoxy)-3-methylimidazole-4-carboxamide
CID 103511267
3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
CID 125442338
N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
CID 103512202
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
N-[2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 122568960
methyl 2-methyl-4-(3-methylimidazol-4-yl)-4-oxobutanoate
CID 66116822
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylimidazole-4-carboxamide
CID 106356199
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
CID 110863425

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide (CID 103511037) is N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide is COC(OC)C(C)NC(=O)c1cncn1C.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is PZGRWSOODIHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(10(15-3)16-4)12-9(14)8-5-11-6-13(8)2/h5-7,10H,1-4H3,(H,12,14).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).