2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide

C17H28N2O — CID 60647450

IUPAC2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)CCCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)7-5-9-15(4)18-12-17(20)19-16-10-6-8-14(3)11-16/h6,8,10-11,13,15,18H,5,7,9,12H2,1-4H3,(H,19,20)
InChIKeyCGJYAJPUDUUGEQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.74
Rot. Bonds8

About 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide

2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide (PubChem CID 60647450) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
PubChem CID60647450
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)CCCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)7-5-9-15(4)18-12-17(20)19-16-10-6-8-14(3)11-16/h6,8,10-11,13,15,18H,5,7,9,12H2,1-4H3,(H,19,20)
InChIKeyCGJYAJPUDUUGEQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
N-(3-methylphenyl)-2-(2-methylpropoxyamino)acetamide
CID 82715291
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide (CID 60647450) is 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNC(C)CCCC(C)C)c1.
What is the InChIKey of 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide?
The InChIKey is CGJYAJPUDUUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)7-5-9-15(4)18-12-17(20)19-16-10-6-8-14(3)11-16/h6,8,10-11,13,15,18H,5,7,9,12H2,1-4H3,(H,19,20).
What are the key properties of 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide?
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide has a molecular weight of 276.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 60647450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).