N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide

C25H30FN3O3 — CID 4018859

IUPACN-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c1-3-4-14-28(24(30)16-20-9-11-21(26)12-10-20)19-25(31)29(18-23-8-6-15-32-23)17-22-7-5-13-27(22)2/h5-13,15H,3-4,14,16-19H2,1-2H3
InChIKeyKSKVYNNIRKUARD-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.16
Rot. Bonds11

About N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide

N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide (PubChem CID 4018859) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
PubChem CID4018859
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H30FN3O3/c1-3-4-14-28(24(30)16-20-9-11-21(26)12-10-20)19-25(31)29(18-23-8-6-15-32-23)17-22-7-5-13-27(22)2/h5-13,15H,3-4,14,16-19H2,1-2H3
InChIKeyKSKVYNNIRKUARD-UHFFFAOYSA-N
XLogP4.16
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4002712
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4546809
2-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4272707
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 5038649
2-[acetyl(propyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42773488
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
CID 5121435

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide (CID 4018859) is N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide is CCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The InChIKey is KSKVYNNIRKUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-3-4-14-28(24(30)16-20-9-11-21(26)12-10-20)19-25(31)29(18-23-8-6-15-32-23)17-22-7-5-13-27(22)2/h5-13,15H,3-4,14,16-19H2,1-2H3.
What are the key properties of N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide?
N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide has a molecular weight of 439.53 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 4018859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).