N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

C20H28N4O2 — CID 70758368

IUPACN-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCCn1ccnc1CN1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C20H28N4O2/c1-4-10-24-11-9-21-20(24)14-23-12-18(19(13-23)22-15(2)25)16-5-7-17(26-3)8-6-16/h5-9,11,18-19H,4,10,12-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyUAOACPNGZXCAAC-RBUKOAKNSA-N
MW356.47 g/mol
LogP2.41
Rot. Bonds7

About N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 70758368) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID70758368
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCCn1ccnc1CN1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C20H28N4O2/c1-4-10-24-11-9-21-20(24)14-23-12-18(19(13-23)22-15(2)25)16-5-7-17(26-3)8-6-16/h5-9,11,18-19H,4,10,12-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyUAOACPNGZXCAAC-RBUKOAKNSA-N
XLogP2.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 70758368) is N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CCCn1ccnc1CN1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1.
What is the InChIKey of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is UAOACPNGZXCAAC-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-10-24-11-9-21-20(24)14-23-12-18(19(13-23)22-15(2)25)16-5-7-17(26-3)8-6-16/h5-9,11,18-19H,4,10,12-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70758368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).