N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C22H23N3O3 — CID 9391859

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC(=O)NCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)23-15-20(26)25-22(27)24-14-19-8-5-13-28-19/h2-13,21,23H,14-15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1
InChIKeyPIAJWSVCAWILII-OAQYLSRUSA-N
MW377.44 g/mol
LogP3.29
Rot. Bonds7

About N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9391859) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9391859
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC(=O)NCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)23-15-20(26)25-22(27)24-14-19-8-5-13-28-19/h2-13,21,23H,14-15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1
InChIKeyPIAJWSVCAWILII-OAQYLSRUSA-N
XLogP3.29
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
N-(furan-2-ylmethyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867058
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9391859) is N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)NC(=O)NCc2ccco2)c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is PIAJWSVCAWILII-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)23-15-20(26)25-22(27)24-14-19-8-5-13-28-19/h2-13,21,23H,14-15H2,1H3,(H2,24,25,26,27)/t21-/m1/s1.
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9391859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).