2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide

C23H31N3O3 — CID 112811103

IUPAC2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(NC1CCCC(C)C1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H31N3O3/c1-15-8-6-12-20(16(15)2)25-17(3)22(27)26-21-11-5-4-10-19(21)23(28)24-14-18-9-7-13-29-18/h4-5,7,9-11,13,15-17,20,25H,6,8,12,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyPWDQJGAZIORAJX-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.95
Rot. Bonds7

About 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide

2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 112811103) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID112811103
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(NC1CCCC(C)C1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H31N3O3/c1-15-8-6-12-20(16(15)2)25-17(3)22(27)26-21-11-5-4-10-19(21)23(28)24-14-18-9-7-13-29-18/h4-5,7,9-11,13,15-17,20,25H,6,8,12,14H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyPWDQJGAZIORAJX-UHFFFAOYSA-N
XLogP3.95
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112796590
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 86946294
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide (CID 112811103) is 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide is CC(NC1CCCC(C)C1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PWDQJGAZIORAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-8-6-12-20(16(15)2)25-17(3)22(27)26-21-11-5-4-10-19(21)23(28)24-14-18-9-7-13-29-18/h4-5,7,9-11,13,15-17,20,25H,6,8,12,14H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide?
2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 112811103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).