N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide

C21H27N3O4 — CID 25163841

IUPACN-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C21H27N3O4/c1-27-18-8-3-2-7-16(18)21(26)22-11-10-20(25)23-15-17(19-9-6-14-28-19)24-12-4-5-13-24/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyDHMFTOHKZXHXSM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.36
Rot. Bonds9

About N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 25163841) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID25163841
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C21H27N3O4/c1-27-18-8-3-2-7-16(18)21(26)22-11-10-20(25)23-15-17(19-9-6-14-28-19)24-12-4-5-13-24/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyDHMFTOHKZXHXSM-UHFFFAOYSA-N
XLogP2.36
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide (CID 25163841) is N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is DHMFTOHKZXHXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-18-8-3-2-7-16(18)21(26)22-11-10-20(25)23-15-17(19-9-6-14-28-19)24-12-4-5-13-24/h2-3,6-9,14,17H,4-5,10-13,15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 385.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 25163841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).