N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide

C24H29N3O3 — CID 55824006

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
SMILESCOc1ccccc1C(NC(=O)CCCOCCc1ccccc1)c1nccn1C
InChIInChI=1S/C24H29N3O3/c1-27-16-15-25-24(27)23(20-11-6-7-12-21(20)29-2)26-22(28)13-8-17-30-18-14-19-9-4-3-5-10-19/h3-7,9-12,15-16,23H,8,13-14,17-18H2,1-2H3,(H,26,28)
InChIKeyMLJBOASBCPACDF-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.67
Rot. Bonds11

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide (PubChem CID 55824006) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
PubChem CID55824006
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
SMILESCOc1ccccc1C(NC(=O)CCCOCCc1ccccc1)c1nccn1C
InChIInChI=1S/C24H29N3O3/c1-27-16-15-25-24(27)23(20-11-6-7-12-21(20)29-2)26-22(28)13-8-17-30-18-14-19-9-4-3-5-10-19/h3-7,9-12,15-16,23H,8,13-14,17-18H2,1-2H3,(H,26,28)
InChIKeyMLJBOASBCPACDF-UHFFFAOYSA-N
XLogP3.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 24660525
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 166417619
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide (CID 55824006) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide is COc1ccccc1C(NC(=O)CCCOCCc1ccccc1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide?
The InChIKey is MLJBOASBCPACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-27-16-15-25-24(27)23(20-11-6-7-12-21(20)29-2)26-22(28)13-8-17-30-18-14-19-9-4-3-5-10-19/h3-7,9-12,15-16,23H,8,13-14,17-18H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide has a molecular weight of 407.51 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 55824006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).