3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

C22H25N3O3 — CID 18102285

IUPAC3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCOc1cccc(CCC(=O)NC(c2ccccc2)c2nccn2C)c1OC
InChIInChI=1S/C22H25N3O3/c1-25-15-14-23-22(25)20(16-8-5-4-6-9-16)24-19(26)13-12-17-10-7-11-18(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,26)
InChIKeyMPNGDAYBVKWNAR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds8

About 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 18102285) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID18102285
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCOc1cccc(CCC(=O)NC(c2ccccc2)c2nccn2C)c1OC
InChIInChI=1S/C22H25N3O3/c1-25-15-14-23-22(25)20(16-8-5-4-6-9-16)24-19(26)13-12-17-10-7-11-18(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,26)
InChIKeyMPNGDAYBVKWNAR-UHFFFAOYSA-N
XLogP3.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (CID 18102285) is 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is COc1cccc(CCC(=O)NC(c2ccccc2)c2nccn2C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is MPNGDAYBVKWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-15-14-23-22(25)20(16-8-5-4-6-9-16)24-19(26)13-12-17-10-7-11-18(27-2)21(17)28-3/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 18102285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).