3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

C22H25N3O2 — CID 55447782

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)NC(c2ccccc2)c2nccn2C)o1
InChIInChI=1S/C22H25N3O2/c1-15-14-18(15)19-10-8-17(27-19)9-11-20(26)24-21(16-6-4-3-5-7-16)22-23-12-13-25(22)2/h3-8,10,12-13,15,18,21H,9,11,14H2,1-2H3,(H,24,26)
InChIKeyYTZRRJZAVYYNLN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds7

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 55447782) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID55447782
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)NC(c2ccccc2)c2nccn2C)o1
InChIInChI=1S/C22H25N3O2/c1-15-14-18(15)19-10-8-17(27-19)9-11-20(26)24-21(16-6-4-3-5-7-16)22-23-12-13-25(22)2/h3-8,10,12-13,15,18,21H,9,11,14H2,1-2H3,(H,24,26)
InChIKeyYTZRRJZAVYYNLN-UHFFFAOYSA-N
XLogP3.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 118788666
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (CID 55447782) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is CC1CC1c1ccc(CCC(=O)NC(c2ccccc2)c2nccn2C)o1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is YTZRRJZAVYYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-14-18(15)19-10-8-17(27-19)9-11-20(26)24-21(16-6-4-3-5-7-16)22-23-12-13-25(22)2/h3-8,10,12-13,15,18,21H,9,11,14H2,1-2H3,(H,24,26).
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 55447782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).