2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H27N3O2 — CID 2523881

IUPAC2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)23-21(26)14-25(2)15-22(27)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,20H,5,7,9,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyVYFCZNLIGGGITB-HXUWFJFHSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds6

About 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2523881) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2523881
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)23-21(26)14-25(2)15-22(27)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,20H,5,7,9,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyVYFCZNLIGGGITB-HXUWFJFHSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-methyl-N-(4-propan-2-ylphenyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanediamide
CID 5137610
(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
CID 7321311
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9103538
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 98750995

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2523881) is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is VYFCZNLIGGGITB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-10-12-18(13-11-16)23-21(26)14-25(2)15-22(27)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,20H,5,7,9,14-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1.
What are the key properties of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2523881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).