N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C21H23N3O2 — CID 60605560

IUPACN-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-10-8-15(9-11-18)20-7-4-12-24(20)21(25)22-14-17-13-16-5-2-3-6-19(16)23-17/h2-3,5-6,8-11,13,20,23H,4,7,12,14H2,1H3,(H,22,25)
InChIKeyHKUIEKBOOWUZEE-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.22
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 60605560) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID60605560
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-10-8-15(9-11-18)20-7-4-12-24(20)21(25)22-14-17-13-16-5-2-3-6-19(16)23-17/h2-3,5-6,8-11,13,20,23H,4,7,12,14H2,1H3,(H,22,25)
InChIKeyHKUIEKBOOWUZEE-UHFFFAOYSA-N
XLogP4.22
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
(2R)-2-(4-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-1-carboxamide
CID 97004854
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 60605560) is N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HKUIEKBOOWUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-18-10-8-15(9-11-18)20-7-4-12-24(20)21(25)22-14-17-13-16-5-2-3-6-19(16)23-17/h2-3,5-6,8-11,13,20,23H,4,7,12,14H2,1H3,(H,22,25).
What are the key properties of N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60605560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).