3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide

C22H27N3O3 — CID 47056867

IUPAC3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H27N3O3/c26-21(15-25(19-7-1-2-8-19)14-20-9-4-12-28-20)23-18-6-3-5-16(13-18)22(27)24-17-10-11-17/h3-6,9,12-13,17,19H,1-2,7-8,10-11,14-15H2,(H,23,26)(H,24,27)
InChIKeyGJDLOFWTNPQFIE-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.56
Rot. Bonds8

About 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 47056867) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID47056867
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H27N3O3/c26-21(15-25(19-7-1-2-8-19)14-20-9-4-12-28-20)23-18-6-3-5-16(13-18)22(27)24-17-10-11-17/h3-6,9,12-13,17,19H,1-2,7-8,10-11,14-15H2,(H,23,26)(H,24,27)
InChIKeyGJDLOFWTNPQFIE-UHFFFAOYSA-N
XLogP3.56
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
CID 47537148
N-cyclopropyl-3-[3-(furan-2-yl)propanoylamino]benzamide
CID 9360830
N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54831065
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 55827232
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
CID 54817859
N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54831186
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide (CID 47056867) is 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide is O=C(CN(Cc1ccco1)C1CCCC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is GJDLOFWTNPQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(15-25(19-7-1-2-8-19)14-20-9-4-12-28-20)23-18-6-3-5-16(13-18)22(27)24-17-10-11-17/h3-6,9,12-13,17,19H,1-2,7-8,10-11,14-15H2,(H,23,26)(H,24,27).
What are the key properties of 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 47056867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).