N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide

C18H26N2O2 — CID 46967360

IUPACN-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCCCN1C[C@H](NC(=O)C2CC2)[C@@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-10-20-11-16(13-6-8-15(22-2)9-7-13)17(12-20)19-18(21)14-4-5-14/h6-9,14,16-17H,3-5,10-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeySJPSHIWNJVZJQM-SJORKVTESA-N
MW302.42 g/mol
LogP2.40
Rot. Bonds6

About N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 46967360) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID46967360
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCCCN1C[C@H](NC(=O)C2CC2)[C@@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-10-20-11-16(13-6-8-15(22-2)9-7-13)17(12-20)19-18(21)14-4-5-14/h6-9,14,16-17H,3-5,10-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeySJPSHIWNJVZJQM-SJORKVTESA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide
CID 16672925
2-[(3S,4R)-3-acetamido-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 70747208
N-[(3S,4R)-1-[(4-acetamidophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70735692
N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70768592
N-[(3S,4R)-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70718143
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 9293273
N-[(3S,4R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70719516
2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 138525291
N-[(3S,4R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70756106
N-[4-(4-methoxyphenyl)-1-(2-propylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 78087482
N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 72874463
N-[(3S,4R)-1-[(2-amino-3-pyridinyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70735174

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 46967360) is N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide is CCCN1C[C@H](NC(=O)C2CC2)[C@@H](c2ccc(OC)cc2)C1.
What is the InChIKey of N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is SJPSHIWNJVZJQM-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-10-20-11-16(13-6-8-15(22-2)9-7-13)17(12-20)19-18(21)14-4-5-14/h6-9,14,16-17H,3-5,10-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46967360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).