N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide

C22H27N3O4 — CID 47537148

IUPACN-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESO=C(CN(Cc1ccco1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H27N3O4/c26-21(23-18-5-1-4-16(12-18)22(27)24-17-8-9-17)15-25(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,17,20H,3,7-9,11,13-15H2,(H,23,26)(H,24,27)
InChIKeyHGJCQAGCKYPTCS-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.79
Rot. Bonds9

About N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide (PubChem CID 47537148) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
PubChem CID47537148
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESO=C(CN(Cc1ccco1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H27N3O4/c26-21(23-18-5-1-4-16(12-18)22(27)24-17-8-9-17)15-25(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,17,20H,3,7-9,11,13-15H2,(H,23,26)(H,24,27)
InChIKeyHGJCQAGCKYPTCS-UHFFFAOYSA-N
XLogP2.79
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 55994012
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867
N-cyclopropyl-3-[3-(furan-2-yl)propanoylamino]benzamide
CID 9360830
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 47537442

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide (CID 47537148) is N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide is O=C(CN(Cc1ccco1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide?
The InChIKey is HGJCQAGCKYPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(23-18-5-1-4-16(12-18)22(27)24-17-8-9-17)15-25(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,17,20H,3,7-9,11,13-15H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 47537148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).