N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide

C22H27N3O2 — CID 9260477

IUPACN,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-24(2)22(27)17-11-13-18(14-12-17)23-21(26)15-25(3)20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyKFCWLVJZFVGJDB-FQEVSTJZSA-N
MW365.48 g/mol
LogP3.34
Rot. Bonds5

About N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide (PubChem CID 9260477) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
PubChem CID9260477
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-24(2)22(27)17-11-13-18(14-12-17)23-21(26)15-25(3)20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyKFCWLVJZFVGJDB-FQEVSTJZSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide with MolForge

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Related Compounds

4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260681
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(1-methylpyrazol-3-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 124758545
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide (CID 9260477) is N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide?
The InChIKey is KFCWLVJZFVGJDB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(2)22(27)17-11-13-18(14-12-17)23-21(26)15-25(3)20-10-6-8-16-7-4-5-9-19(16)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9260477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).