N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide

C20H22N2O3 — CID 95159935

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C20H22N2O3/c1-14(9-10-15-6-5-11-25-15)22-20(23)18-13-21-12-17(18)16-7-3-4-8-19(16)24-2/h3-8,11-14,21H,9-10H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyQLKSUPDGCHEQGT-CQSZACIVSA-N
MW338.41 g/mol
LogP4.03
Rot. Bonds7

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 95159935) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID95159935
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)CCc1ccco1
InChIInChI=1S/C20H22N2O3/c1-14(9-10-15-6-5-11-25-15)22-20(23)18-13-21-12-17(18)16-7-3-4-8-19(16)24-2/h3-8,11-14,21H,9-10H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyQLKSUPDGCHEQGT-CQSZACIVSA-N
XLogP4.03
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
6-amino-N-[4-(furan-2-yl)butan-2-yl]pyridazine-3-carboxamide
CID 62185826
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 95159935) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)CCc1ccco1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is QLKSUPDGCHEQGT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(9-10-15-6-5-11-25-15)22-20(23)18-13-21-12-17(18)16-7-3-4-8-19(16)24-2/h3-8,11-14,21H,9-10H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 95159935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).