N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide

C19H25N3O3 — CID 75425157

IUPACN-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCOC3CCOCC3)c2)[nH]c1C
InChIInChI=1S/C19H25N3O3/c1-13-14(2)21-19(20-13)15-4-3-5-16(12-15)22-18(23)8-11-25-17-6-9-24-10-7-17/h3-5,12,17H,6-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGXARYCRGYUQLSZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide

N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide (PubChem CID 75425157) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide
PubChem CID75425157
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCOC3CCOCC3)c2)[nH]c1C
InChIInChI=1S/C19H25N3O3/c1-13-14(2)21-19(20-13)15-4-3-5-16(12-15)22-18(23)8-11-25-17-6-9-24-10-7-17/h3-5,12,17H,6-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGXARYCRGYUQLSZ-UHFFFAOYSA-N
XLogP3.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-piperidin-4-yloxypropanamide
CID 63875437
N-(4-carbamothioylphenyl)-3-(oxan-4-yloxy)propanamide
CID 61287787
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
CID 91012537
N-(3-methoxyphenyl)-3-piperidin-4-yloxypropanamide
CID 63875432
[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
CID 141144438
3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 75369727
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
2,4-dimethyl-5-[3-(oxan-4-yloxy)propanoylamino]benzoic acid
CID 120538249
N-phenyl-3-piperidin-4-yloxypropanamide
CID 63877329
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide (CID 75425157) is N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide is Cc1nc(-c2cccc(NC(=O)CCOC3CCOCC3)c2)[nH]c1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide?
The InChIKey is GXARYCRGYUQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-14(2)21-19(20-13)15-4-3-5-16(12-15)22-18(23)8-11-25-17-6-9-24-10-7-17/h3-5,12,17H,6-11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide?
N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide has a molecular weight of 343.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 75425157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).