N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide

C12H21N3O — CID 63940803

IUPACN-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-12(16)15(2)10-11-13-8-9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,14)
InChIKeyQMOQZERCWUOHRD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide

N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide (PubChem CID 63940803) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
PubChem CID63940803
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-12(16)15(2)10-11-13-8-9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,14)
InChIKeyQMOQZERCWUOHRD-UHFFFAOYSA-N
XLogP2.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63929732
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 63939868
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
2-hexadecyl-1H-imidazole;urea
CID 174763574

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide (CID 63940803) is N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide is CCCCCCC(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide?
The InChIKey is QMOQZERCWUOHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-7-12(16)15(2)10-11-13-8-9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide?
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide has a molecular weight of 223.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide is sourced from PubChem (CID 63940803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).