N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide

C21H23N3O2 — CID 42924338

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-15-14-22-21(24)20(17-9-11-18(26-2)12-10-17)23-19(25)13-8-16-6-4-3-5-7-16/h3-7,9-12,14-15,20H,8,13H2,1-2H3,(H,23,25)
InChIKeyZVZASXGSTCIUGM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.27
Rot. Bonds7

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 42924338) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID42924338
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-15-14-22-21(24)20(17-9-11-18(26-2)12-10-17)23-19(25)13-8-16-6-4-3-5-7-16/h3-7,9-12,14-15,20H,8,13H2,1-2H3,(H,23,25)
InChIKeyZVZASXGSTCIUGM-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 27152244
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (CID 42924338) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is COc1ccc(C(NC(=O)CCc2ccccc2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is ZVZASXGSTCIUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-15-14-22-21(24)20(17-9-11-18(26-2)12-10-17)23-19(25)13-8-16-6-4-3-5-7-16/h3-7,9-12,14-15,20H,8,13H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 42924338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).