N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C21H22N2O2 — CID 8696064

IUPACN-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)c(C)c1
InChIInChI=1S/C21H22N2O2/c1-15-10-11-18(16(2)13-15)23-20(24)14-22-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyMVAFENVVXHLSBS-NRFANRHFSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8696064) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8696064
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)c(C)c1
InChIInChI=1S/C21H22N2O2/c1-15-10-11-18(16(2)13-15)23-20(24)14-22-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyMVAFENVVXHLSBS-NRFANRHFSA-N
XLogP4.21
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
CID 8755860
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)acetamide
CID 8755106
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-naphthalen-1-ylacetamide
CID 8695978
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
N-(2-benzylphenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755114
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755862
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
(2S)-4-(2,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 51402578
N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755542
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8696064) is N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccco2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is MVAFENVVXHLSBS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-10-11-18(16(2)13-15)23-20(24)14-22-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24)/t21-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8696064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).